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

Systemtic Name: 1-(4-methoxyphenyl)-2-[[5-(phenylazanylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 2-[[4-allyl-5-(anilinomethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methoxyphenyl)ethanone CAS Name: 2-[[5-(anilinomethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-1-(4-methoxyphenyl)ethanone IUPAC Name: 2-[[5-(anilinomethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methoxyphenyl)ethanone Traditional Name: 2-[[4-allyl-5-(anilinomethyl)-1,2,4-triazol-3-yl]thio]-1-(4-methoxyphenyl)ethanone Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2CC=C)CNC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2CC=C)CNC3=CC=CC=C3

InChI

InChI=1S/C21H22N4O2S/c1-3-13-25-20(14-22-17-7-5-4-6-8-17)23-24-21(25)28-15-19(26)16-9-11-18(27-2)12-10-16/h3-12,22H,1,13-15H2,2H3