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

Systemtic Name: 4-methyl-N-[5-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-nitro-benzamide Openeye Name: 4-methyl-N-[5-[2-(3-methylanilino)-2-oxo-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-nitro-benzamide CAS Name: 4-methyl-N-[5-[[2-(3-methylanilino)-2-oxoethyl]thio]-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide IUPAC Name: 4-methyl-N-[5-[2-(3-methylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide Traditional Name: N-[5-[[2-keto-2-(m-toluidino)ethyl]thio]-1,3,4-thiadiazol-2-yl]-4-methyl-3-nitro-benzamide Formula: C19H17N5O4S2 MolecularWeight: 443.49938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CSC2=NN=C(S2)NC(=O)C3=CC(=C(C=C3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CSC2=NN=C(S2)NC(=O)C3=CC(=C(C=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C19H17N5O4S2/c1-11-4-3-5-14(8-11)20-16(25)10-29-19-23-22-18(30-19)21-17(26)13-7-6-12(2)15(9-13)24(27)28/h3-9H,10H2,1-2H3,(H,20,25)(H,21,22,26)