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

Systemtic Name: 1-(3-nitrophenyl)-2-[[5-(phenylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 2-[(4-allyl-5-benzyl-1,2,4-triazol-3-yl)sulfanyl]-1-(3-nitrophenyl)ethanone CAS Name: 1-(3-nitrophenyl)-2-[[5-(phenylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 2-[(5-benzyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-1-(3-nitrophenyl)ethanone Traditional Name: 2-[(4-allyl-5-benzyl-1,2,4-triazol-3-yl)thio]-1-(3-nitrophenyl)ethanone Formula: C20H18N4O3S MolecularWeight: 394.44692

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)C2=CC(=CC=C2)[N+](=O)[O-])CC3=CC=CC=C3

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)C2=CC(=CC=C2)[N+](=O)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C20H18N4O3S/c1-2-11-23-19(12-15-7-4-3-5-8-15)21-22-20(23)28-14-18(25)16-9-6-10-17(13-16)24(26)27/h2-10,13H,1,11-12,14H2