4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-phenyl-benzamide

Systemtic Name: 4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-phenyl-benzamide Openeye Name: 4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-phenyl-benzamide CAS Name: 4-[[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]methyl]-N-phenylbenzamide IUPAC Name: 4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-phenylbenzamide Traditional Name: 4-[[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]methyl]-N-phenyl-benzamide Formula: C22H22N4OS MolecularWeight: 390.50128

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2C3CC3)SCC4=CC=C(C=C4)C(=O)NC5=CC=CC=C5

Isomeric SMILES

C1CC1C2=NN=C(N2C3CC3)SCC4=CC=C(C=C4)C(=O)NC5=CC=CC=C5

InChI

InChI=1S/C22H22N4OS/c27-21(23-18-4-2-1-3-5-18)17-8-6-15(7-9-17)14-28-22-25-24-20(16-10-11-16)26(22)19-12-13-19/h1-9,16,19H,10-14H2,(H,23,27)