N-[2-[[5-(4-methoxyphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoyl]benzamide

Systemtic Name: N-[2-[[5-(4-methoxyphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoyl]benzamide Openeye Name: N-[2-[[4-isopropyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]benzamide CAS Name: N-[2-[[5-(4-methoxyphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]thio]-1-oxoethyl]benzamide IUPAC Name: N-[2-[[5-(4-methoxyphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]benzamide Traditional Name: N-[2-[[4-isopropyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]acetyl]benzamide Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=NN=C1SCC(=O)NC(=O)C2=CC=CC=C2)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)N1C(=NN=C1SCC(=O)NC(=O)C2=CC=CC=C2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H22N4O3S/c1-14(2)25-19(15-9-11-17(28-3)12-10-15)23-24-21(25)29-13-18(26)22-20(27)16-7-5-4-6-8-16/h4-12,14H,13H2,1-3H3,(H,22,26,27)