1-[4-methoxy-3-[[5-(4-nitrophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]ethanone

Systemtic Name: 1-[4-methoxy-3-[[5-(4-nitrophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]ethanone Openeye Name: 1-[3-[[4-allyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-methoxy-phenyl]ethanone CAS Name: 1-[4-methoxy-3-[[[5-(4-nitrophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]methyl]phenyl]ethanone IUPAC Name: 1-[4-methoxy-3-[[5-(4-nitrophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]ethanone Traditional Name: 1-[3-[[[4-allyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]thio]methyl]-4-methoxy-phenyl]ethanone Formula: C21H20N4O4S MolecularWeight: 424.4729

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)CSC2=NN=C(N2CC=C)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)CSC2=NN=C(N2CC=C)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H20N4O4S/c1-4-11-24-20(15-5-8-18(9-6-15)25(27)28)22-23-21(24)30-13-17-12-16(14(2)26)7-10-19(17)29-3/h4-10,12H,1,11,13H2,2-3H3