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

Systemtic Name: 3-[[5-(4-nitrophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]butan-2-one Openeye Name: 3-[[4-allyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]butan-2-one CAS Name: 3-[[5-(4-nitrophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-2-butanone IUPAC Name: 3-[[5-(4-nitrophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]butan-2-one Traditional Name: 3-[[4-allyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]thio]butan-2-one Formula: C15H16N4O3S MolecularWeight: 332.37754

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C)SC1=NN=C(N1CC=C)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)C)SC1=NN=C(N1CC=C)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H16N4O3S/c1-4-9-18-14(12-5-7-13(8-6-12)19(21)22)16-17-15(18)23-11(3)10(2)20/h4-8,11H,1,9H2,2-3H3