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

Systemtic Name: 3-[(5-ethyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-nitrophenyl)propanamide Openeye Name: 3-[(4-allyl-5-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-nitrophenyl)propanamide CAS Name: 3-[(5-ethyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]-N-(4-nitrophenyl)propanamide IUPAC Name: 3-[(5-ethyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-nitrophenyl)propanamide Traditional Name: 3-[(4-allyl-5-ethyl-1,2,4-triazol-3-yl)thio]-N-(4-nitrophenyl)propionamide Formula: C16H19N5O3S MolecularWeight: 361.41876

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1CC=C)SCCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCC1=NN=C(N1CC=C)SCCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H19N5O3S/c1-3-10-20-14(4-2)18-19-16(20)25-11-9-15(22)17-12-5-7-13(8-6-12)21(23)24/h3,5-8H,1,4,9-11H2,2H3,(H,17,22)