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

Systemtic Name: N-[5-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-nitro-benzamide Openeye Name: N-[5-[2-(3-methylanilino)-2-oxo-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-nitro-benzamide CAS Name: N-[5-[[2-(3-methylanilino)-2-oxoethyl]thio]-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide IUPAC Name: 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]-3-nitro-benzamide Formula: C18H15N5O4S2 MolecularWeight: 429.4728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15N5O4S2/c1-11-4-2-6-13(8-11)19-15(24)10-28-18-22-21-17(29-18)20-16(25)12-5-3-7-14(9-12)23(26)27/h2-9H,10H2,1H3,(H,19,24)(H,20,21,25)