3-[4-methyl-5-[2-nitro-4-(phenylcarbonyl)phenyl]sulfanyl-1,2,4-triazol-3-yl]propanamide

Systemtic Name: 3-[4-methyl-5-[2-nitro-4-(phenylcarbonyl)phenyl]sulfanyl-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[5-(4-benzoyl-2-nitro-phenyl)sulfanyl-4-methyl-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[5-[(4-benzoyl-2-nitrophenyl)thio]-4-methyl-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[5-(4-benzoyl-2-nitrophenyl)sulfanyl-4-methyl-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[5-[(4-benzoyl-2-nitro-phenyl)thio]-4-methyl-1,2,4-triazol-3-yl]propionamide Formula: C19H17N5O4S MolecularWeight: 411.43438

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SC2=C(C=C(C=C2)C(=O)C3=CC=CC=C3)[N+](=O)[O-])CCC(=O)N

Isomeric SMILES

CN1C(=NN=C1SC2=C(C=C(C=C2)C(=O)C3=CC=CC=C3)[N+](=O)[O-])CCC(=O)N

InChI

InChI=1S/C19H17N5O4S/c1-23-17(10-9-16(20)25)21-22-19(23)29-15-8-7-13(11-14(15)24(27)28)18(26)12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3,(H2,20,25)