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

Systemtic Name: 1-[[5-(2-nitrophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]propan-2-one Openeye Name: 1-[[4-allyl-5-(2-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]propan-2-one CAS Name: 1-[[5-(2-nitrophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-2-propanone IUPAC Name: 1-[[5-(2-nitrophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]propan-2-one Traditional Name: 1-[[4-allyl-5-(2-nitrophenyl)-1,2,4-triazol-3-yl]thio]acetone Formula: C14H14N4O3S MolecularWeight: 318.35096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14N4O3S/c1-3-8-17-13(15-16-14(17)22-9-10(2)19)11-6-4-5-7-12(11)18(20)21/h3-7H,1,8-9H2,2H3