N-(4-chloranyl-3-methyl-phenyl)-4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylsulfanylmethyl)benzamide

Systemtic Name: N-(4-chloranyl-3-methyl-phenyl)-4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylsulfanylmethyl)benzamide Openeye Name: N-(4-chloro-3-methyl-phenyl)-4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylsulfanylmethyl)benzamide CAS Name: N-(4-chloro-3-methylphenyl)-4-[(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylthio)methyl]benzamide IUPAC Name: N-(4-chloro-3-methylphenyl)-4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylsulfanylmethyl)benzamide Traditional Name: N-(4-chloro-3-methyl-phenyl)-4-[(6,7,8,9-tetrahydro-5H-[1,2,4]triazol[4,3-a]azepin-3-ylthio)methyl]benzamide Formula: C22H23ClN4OS MolecularWeight: 426.96222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C2=CC=C(C=C2)CSC3=NN=C4N3CCCCC4)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C2=CC=C(C=C2)CSC3=NN=C4N3CCCCC4)Cl

InChI

InChI=1S/C22H23ClN4OS/c1-15-13-18(10-11-19(15)23)24-21(28)17-8-6-16(7-9-17)14-29-22-26-25-20-5-3-2-4-12-27(20)22/h6-11,13H,2-5,12,14H2,1H3,(H,24,28)