3-[[5-(2-chlorophenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 3-[[5-(2-chlorophenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[[5-(2-chlorophenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 3-[[[5-(2-chlorophenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 3-[[5-(2-chlorophenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 3-[[[5-(2-chlorophenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]thio]methyl]benzonitrile Formula: C21H19ClN4S MolecularWeight: 394.92036

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C(=NN=C2SCC3=CC=CC(=C3)C#N)C4=CC=CC=C4Cl

Isomeric SMILES

C1CCC(C1)N2C(=NN=C2SCC3=CC=CC(=C3)C#N)C4=CC=CC=C4Cl

InChI

InChI=1S/C21H19ClN4S/c22-19-11-4-3-10-18(19)20-24-25-21(26(20)17-8-1-2-9-17)27-14-16-7-5-6-15(12-16)13-23/h3-7,10-12,17H,1-2,8-9,14H2