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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2CC=C)COC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2CC=C)COC3=CC=CC=C3

InChI

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