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

Systemtic Name: N-[4-[2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]phenyl]benzamide Openeye Name: N-[4-[2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]phenyl]benzamide CAS Name: N-[4-[2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]phenyl]benzamide IUPAC Name: N-[4-[2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]phenyl]benzamide Traditional Name: N-[4-[2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)thio]acetyl]phenyl]benzamide Formula: C22H22N4O2S MolecularWeight: 406.50068

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3)C4CC4

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3)C4CC4

InChI

InChI=1S/C22H22N4O2S/c1-2-26-20(16-8-9-16)24-25-22(26)29-14-19(27)15-10-12-18(13-11-15)23-21(28)17-6-4-3-5-7-17/h3-7,10-13,16H,2,8-9,14H2,1H3,(H,23,28)