4-(benzotriazol-1-ylmethyl)-N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]benzamide

Systemtic Name: 4-(benzotriazol-1-ylmethyl)-N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]benzamide Openeye Name: 4-(benzotriazol-1-ylmethyl)-N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]benzamide CAS Name: 4-(1-benzotriazolylmethyl)-N-[3-[4-cyclopentyl-5-(methylthio)-1,2,4-triazol-3-yl]propyl]benzamide IUPAC Name: 4-(benzotriazol-1-ylmethyl)-N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]benzamide Traditional Name: 4-(benzotriazol-1-ylmethyl)-N-[3-[4-cyclopentyl-5-(methylthio)-1,2,4-triazol-3-yl]propyl]benzamide Formula: C25H29N7OS MolecularWeight: 475.60906

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN=C(N1C2CCCC2)CCCNC(=O)C3=CC=C(C=C3)CN4C5=CC=CC=C5N=N4

Isomeric SMILES

CSC1=NN=C(N1C2CCCC2)CCCNC(=O)C3=CC=C(C=C3)CN4C5=CC=CC=C5N=N4

InChI

InChI=1S/C25H29N7OS/c1-34-25-29-28-23(32(25)20-7-2-3-8-20)11-6-16-26-24(33)19-14-12-18(13-15-19)17-31-22-10-5-4-9-21(22)27-30-31/h4-5,9-10,12-15,20H,2-3,6-8,11,16-17H2,1H3,(H,26,33)