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

Systemtic Name: 3-methyl-N-[5-[2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: 3-methyl-N-[5-[2-(4-nitroanilino)-2-oxo-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide CAS Name: 3-methyl-N-[5-[[2-(4-nitroanilino)-2-oxoethyl]thio]-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 3-methyl-N-[5-[2-(4-nitroanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide Traditional Name: N-[5-[[2-keto-2-(4-nitroanilino)ethyl]thio]-1,3,4-thiadiazol-2-yl]-3-methyl-benzamide Formula: C18H15N5O4S2 MolecularWeight: 429.4728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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