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

Systemtic Name: N-[4-[2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]phenyl]benzamide Openeye Name: N-[4-[2-[(4-allyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]phenyl]benzamide CAS Name: N-[4-[2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]phenyl]benzamide IUPAC Name: N-[4-[2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]phenyl]benzamide Traditional Name: N-[4-[2-[(4-allyl-5-methyl-1,2,4-triazol-3-yl)thio]acetyl]phenyl]benzamide Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1CC=C)SCC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=NN=C(N1CC=C)SCC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H20N4O2S/c1-3-13-25-15(2)23-24-21(25)28-14-19(26)16-9-11-18(12-10-16)22-20(27)17-7-5-4-6-8-17/h3-12H,1,13-14H2,2H3,(H,22,27)