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

Systemtic Name: N-[4-[2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]phenyl]benzamide Openeye Name: N-[4-[2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]phenyl]benzamide CAS Name: N-[4-[2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]phenyl]benzamide IUPAC Name: N-[4-[2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]phenyl]benzamide Traditional Name: N-[4-[2-[(4-cyclopropyl-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(N1C2CC2)SCC(=O)C3=CC=C(C=C3)NC(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=NN=C(N1C2CC2)SCC(=O)C3=CC=C(C=C3)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H20N4O2S/c1-14-23-24-21(25(14)18-11-12-18)28-13-19(26)15-7-9-17(10-8-15)22-20(27)16-5-3-2-4-6-16/h2-10,18H,11-13H2,1H3,(H,22,27)