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

Systemtic Name: N-[4-(azepan-1-yl)phenyl]-2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-[4-(azepan-1-yl)phenyl]-2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-[4-(1-azepanyl)phenyl]-2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-[4-(azepan-1-yl)phenyl]-2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-[4-(azepan-1-yl)phenyl]-2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C20H27N5OS MolecularWeight: 385.52628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2CC2)SCC(=O)NC3=CC=C(C=C3)N4CCCCCC4

Isomeric SMILES

CC1=NN=C(N1C2CC2)SCC(=O)NC3=CC=C(C=C3)N4CCCCCC4

InChI

InChI=1S/C20H27N5OS/c1-15-22-23-20(25(15)18-10-11-18)27-14-19(26)21-16-6-8-17(9-7-16)24-12-4-2-3-5-13-24/h6-9,18H,2-5,10-14H2,1H3,(H,21,26)