[[4-[(6-nitro-1H-benzimidazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]amino] 4-methylbenzenesulfinate

Systemtic Name: [[4-[(6-nitro-1H-benzimidazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]amino] 4-methylbenzenesulfinate Openeye Name: [[4-[(6-nitro-1H-benzimidazol-2-yl)sulfanylmethyl]thiazol-2-yl]amino] 4-methylbenzenesulfinate CAS Name: 4-methylbenzenesulfinic acid [[4-[[(6-nitro-1H-benzimidazol-2-yl)thio]methyl]-2-thiazolyl]amino] ester IUPAC Name: [[4-[(6-nitro-1H-benzimidazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]amino] 4-methylbenzenesulfinate Traditional Name: 4-methylbenzenesulfinic acid [[4-[[(6-nitro-1H-benzimidazol-2-yl)thio]methyl]thiazol-2-yl]amino] ester Formula: C18H15N5O4S3 MolecularWeight: 461.5378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)ONC2=NC(=CS2)CSC3=NC4=C(N3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)ONC2=NC(=CS2)CSC3=NC4=C(N3)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H15N5O4S3/c1-11-2-5-14(6-3-11)30(26)27-22-18-19-12(10-29-18)9-28-17-20-15-7-4-13(23(24)25)8-16(15)21-17/h2-8,10H,9H2,1H3,(H,19,22)(H,20,21)