3-[4-cyclopropyl-5-[2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-3-yl]propanamide

Systemtic Name: 3-[4-cyclopropyl-5-[2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[4-cyclopropyl-5-[2-(4-nitroanilino)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[4-cyclopropyl-5-[[2-(4-nitroanilino)-2-oxoethyl]thio]-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[4-cyclopropyl-5-[2-(4-nitroanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[4-cyclopropyl-5-[[2-keto-2-(4-nitroanilino)ethyl]thio]-1,2,4-triazol-3-yl]propionamide Formula: C16H18N6O4S MolecularWeight: 390.41692

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=C2SCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-])CCC(=O)N

Isomeric SMILES

C1CC1N2C(=NN=C2SCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-])CCC(=O)N

InChI

InChI=1S/C16H18N6O4S/c17-13(23)7-8-14-19-20-16(21(14)11-5-6-11)27-9-15(24)18-10-1-3-12(4-2-10)22(25)26/h1-4,11H,5-9H2,(H2,17,23)(H,18,24)