N-[1-[4-(5-chloranyl-2-methyl-phenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]-3-cyclopentyl-propanamide

Systemtic Name: N-[1-[4-(5-chloranyl-2-methyl-phenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]-3-cyclopentyl-propanamide Openeye Name: N-[1-[5-benzylsulfanyl-4-(5-chloro-2-methyl-phenyl)-1,2,4-triazol-3-yl]ethyl]-3-cyclopentyl-propanamide CAS Name: N-[1-[4-(5-chloro-2-methylphenyl)-5-(phenylmethylthio)-1,2,4-triazol-3-yl]ethyl]-3-cyclopentylpropanamide IUPAC Name: N-[1-[5-benzylsulfanyl-4-(5-chloro-2-methylphenyl)-1,2,4-triazol-3-yl]ethyl]-3-cyclopentylpropanamide Traditional Name: N-[1-[5-(benzylthio)-4-(5-chloro-2-methyl-phenyl)-1,2,4-triazol-3-yl]ethyl]-3-cyclopentyl-propionamide Formula: C26H31ClN4OS MolecularWeight: 483.06854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2C(=NN=C2SCC3=CC=CC=C3)C(C)NC(=O)CCC4CCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2C(=NN=C2SCC3=CC=CC=C3)C(C)NC(=O)CCC4CCCC4

InChI

InChI=1S/C26H31ClN4OS/c1-18-12-14-22(27)16-23(18)31-25(19(2)28-24(32)15-13-20-8-6-7-9-20)29-30-26(31)33-17-21-10-4-3-5-11-21/h3-5,10-12,14,16,19-20H,6-9,13,15,17H2,1-2H3,(H,28,32)