4-[6-cyano-2-[(E,3Z)-3-(5-cyano-1,3-diethyl-benzimidazol-2-ylidene)prop-1-enyl]-3-ethyl-benzimidazol-3-ium-1-yl]butane-1-sulfonate

Systemtic Name: 4-[6-cyano-2-[(E,3Z)-3-(5-cyano-1,3-diethyl-benzimidazol-2-ylidene)prop-1-enyl]-3-ethyl-benzimidazol-3-ium-1-yl]butane-1-sulfonate Openeye Name: 4-[6-cyano-2-[(E,3Z)-3-(5-cyano-1,3-diethyl-benzimidazol-2-ylidene)prop-1-enyl]-3-ethyl-benzimidazol-3-ium-1-yl]butane-1-sulfonate CAS Name: 4-[6-cyano-2-[(E,3Z)-3-(5-cyano-1,3-diethyl-2-benzimidazolylidene)prop-1-enyl]-3-ethyl-1-benzimidazol-3-iumyl]-1-butanesulfonate IUPAC Name: 4-[6-cyano-2-[(E,3Z)-3-(5-cyano-1,3-diethylbenzimidazol-2-ylidene)prop-1-enyl]-3-ethylbenzimidazol-3-ium-1-yl]butane-1-sulfonate Traditional Name: 4-[6-cyano-2-[(E,3Z)-3-(5-cyano-1,3-diethyl-benzimidazol-2-ylidene)prop-1-enyl]-3-ethyl-benzimidazol-3-ium-1-yl]butane-1-sulfonate Formula: C29H32N6O3S MolecularWeight: 544.66778

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C#N)N(C1=CC=CC3=[N+](C4=C(N3CCCCS(=O)(=O)[O-])C=C(C=C4)C#N)CC)CC

Isomeric SMILES

CCN\1C2=C(C=C(C=C2)C#N)N(/C1=C\C=C\C3=[N+](C4=C(N3CCCCS(=O)(=O)[O-])C=C(C=C4)C#N)CC)CC

InChI

InChI=1S/C29H32N6O3S/c1-4-32-24-14-12-22(20-30)18-26(24)34(6-3)28(32)10-9-11-29-33(5-2)25-15-13-23(21-31)19-27(25)35(29)16-7-8-17-39(36,37)38/h9-15,18-19H,4-8,16-17H2,1-3H3