S-[1-(4-methylphenyl)carbonyl-5-nitro-benzimidazol-2-yl] 4-methylbenzenecarbothioate

Systemtic Name: S-[1-(4-methylphenyl)carbonyl-5-nitro-benzimidazol-2-yl] 4-methylbenzenecarbothioate Openeye Name: S-[1-(4-methylbenzoyl)-5-nitro-benzimidazol-2-yl] 4-methylbenzenecarbothioate CAS Name: 4-methylbenzenecarbothioic acid S-[1-[(4-methylphenyl)-oxomethyl]-5-nitro-2-benzimidazolyl] ester IUPAC Name: S-[1-(4-methylbenzoyl)-5-nitrobenzimidazol-2-yl] 4-methylbenzenecarbothioate Traditional Name: 4-methylthiobenzoic acid S-(5-nitro-1-p-toluoyl-benzimidazol-2-yl) ester Formula: C23H17N3O4S MolecularWeight: 431.46378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2C3=C(C=C(C=C3)[N+](=O)[O-])N=C2SC(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2C3=C(C=C(C=C3)[N+](=O)[O-])N=C2SC(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C23H17N3O4S/c1-14-3-7-16(8-4-14)21(27)25-20-12-11-18(26(29)30)13-19(20)24-23(25)31-22(28)17-9-5-15(2)6-10-17/h3-13H,1-2H3