3-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-nitrophenyl)propanamide

Systemtic Name: 3-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-nitrophenyl)propanamide Openeye Name: 3-[(4-allyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-nitrophenyl)propanamide CAS Name: 3-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]-N-(4-nitrophenyl)propanamide IUPAC Name: 3-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-nitrophenyl)propanamide Traditional Name: 3-[(4-allyl-5-methyl-1,2,4-triazol-3-yl)thio]-N-(4-nitrophenyl)propionamide Formula: C15H17N5O3S MolecularWeight: 347.39218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1CC=C)SCCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=NN=C(N1CC=C)SCCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H17N5O3S/c1-3-9-19-11(2)17-18-15(19)24-10-8-14(21)16-12-4-6-13(7-5-12)20(22)23/h3-7H,1,8-10H2,2H3,(H,16,21)