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

Systemtic Name: N-[5-[2-[(4-methoxy-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-methyl-benzamide Openeye Name: N-[5-[2-(4-methoxy-2-nitro-anilino)-2-oxo-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-methyl-benzamide CAS Name: N-[5-[[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]thio]-1,3,4-thiadiazol-2-yl]-3-methylbenzamide IUPAC Name: N-[5-[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-methylbenzamide Traditional Name: N-[5-[[2-keto-2-(4-methoxy-2-nitro-anilino)ethyl]thio]-1,3,4-thiadiazol-2-yl]-3-methyl-benzamide Formula: C19H17N5O5S2 MolecularWeight: 459.49878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC2=NN=C(S2)SCC(=O)NC3=C(C=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC2=NN=C(S2)SCC(=O)NC3=C(C=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C19H17N5O5S2/c1-11-4-3-5-12(8-11)17(26)21-18-22-23-19(31-18)30-10-16(25)20-14-7-6-13(29-2)9-15(14)24(27)28/h3-9H,10H2,1-2H3,(H,20,25)(H,21,22,26)