4-[[5-[(3-methylphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]-3-nitro-benzamide

Systemtic Name: 4-[[5-[(3-methylphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]-3-nitro-benzamide Openeye Name: 4-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-nitro-benzamide CAS Name: 4-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]thio]-3-nitrobenzamide IUPAC Name: 4-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-nitrobenzamide Traditional Name: 4-[[5-(m-toluidino)-1,3,4-thiadiazol-2-yl]thio]-3-nitro-benzamide Formula: C16H13N5O3S2 MolecularWeight: 387.43612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC2=NN=C(S2)SC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)NC2=NN=C(S2)SC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C16H13N5O3S2/c1-9-3-2-4-11(7-9)18-15-19-20-16(26-15)25-13-6-5-10(14(17)22)8-12(13)21(23)24/h2-8H,1H3,(H2,17,22)(H,18,19)