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

Systemtic Name: N-(4-methoxyphenyl)-2-[[5-(3-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-allyl-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methoxyphenyl)acetamide CAS Name: N-(4-methoxyphenyl)-2-[[5-(3-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-methoxyphenyl)-2-[[5-(3-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[4-allyl-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-(4-methoxyphenyl)acetamide Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O3S/c1-4-12-25-20(15-6-5-7-18(13-15)28-3)23-24-21(25)29-14-19(26)22-16-8-10-17(27-2)11-9-16/h4-11,13H,1,12,14H2,2-3H3,(H,22,26)