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

Systemtic Name: N-cyclopropyl-2-[[5-(4-nitrophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-allyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopropyl-acetamide CAS Name: N-cyclopropyl-2-[[5-(4-nitrophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-cyclopropyl-2-[[5-(4-nitrophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[4-allyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]thio]-N-cyclopropyl-acetamide Formula: C16H17N5O3S MolecularWeight: 359.40288

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)NC2CC2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)NC2CC2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H17N5O3S/c1-2-9-20-15(11-3-7-13(8-4-11)21(23)24)18-19-16(20)25-10-14(22)17-12-5-6-12/h2-4,7-8,12H,1,5-6,9-10H2,(H,17,22)