4-[(2-morpholin-4-yl-1,3-benzothiazol-6-yl)amino]-3-nitro-benzenecarbonitrile

Systemtic Name: 4-[(2-morpholin-4-yl-1,3-benzothiazol-6-yl)amino]-3-nitro-benzenecarbonitrile Openeye Name: 4-[(2-morpholino-1,3-benzothiazol-6-yl)amino]-3-nitro-benzonitrile CAS Name: 4-[[2-(4-morpholinyl)-1,3-benzothiazol-6-yl]amino]-3-nitrobenzonitrile IUPAC Name: 4-[(2-morpholin-4-yl-1,3-benzothiazol-6-yl)amino]-3-nitrobenzonitrile Traditional Name: 4-[(2-morpholino-1,3-benzothiazol-6-yl)amino]-3-nitro-benzonitrile Formula: C18H15N5O3S MolecularWeight: 381.4084

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NC3=C(S2)C=C(C=C3)NC4=C(C=C(C=C4)C#N)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=NC3=C(S2)C=C(C=C3)NC4=C(C=C(C=C4)C#N)[N+](=O)[O-]

InChI

InChI=1S/C18H15N5O3S/c19-11-12-1-3-14(16(9-12)23(24)25)20-13-2-4-15-17(10-13)27-18(21-15)22-5-7-26-8-6-22/h1-4,9-10,20H,5-8H2