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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OC2=CC=C(C=C2)NC(=O)CSC3=NN=C(N3CC=C)C

Isomeric SMILES

CC1=CC(=CC=C1)OC2=CC=C(C=C2)NC(=O)CSC3=NN=C(N3CC=C)C

InChI

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