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

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

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)CSC1=NN=C(N1CC=C)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C=CCNC(=O)CSC1=NN=C(N1CC=C)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H17N5O3S/c1-3-9-17-14(22)11-25-16-19-18-15(20(16)10-4-2)12-5-7-13(8-6-12)21(23)24/h3-8H,1-2,9-11H2,(H,17,22)