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

Systemtic Name: N-(3-methoxyphenyl)-2-[[5-(2-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-allyl-5-(o-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methoxyphenyl)acetamide CAS Name: N-(3-methoxyphenyl)-2-[[5-(2-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(3-methoxyphenyl)-2-[[5-(2-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[4-allyl-5-(o-tolyl)-1,2,4-triazol-3-yl]thio]-N-(3-methoxyphenyl)acetamide Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NN=C(N2CC=C)SCC(=O)NC3=CC(=CC=C3)OC

Isomeric SMILES

CC1=CC=CC=C1C2=NN=C(N2CC=C)SCC(=O)NC3=CC(=CC=C3)OC

InChI

InChI=1S/C21H22N4O2S/c1-4-12-25-20(18-11-6-5-8-15(18)2)23-24-21(25)28-14-19(26)22-16-9-7-10-17(13-16)27-3/h4-11,13H,1,12,14H2,2-3H3,(H,22,26)