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

Systemtic Name: 2-[[5-(2-chlorophenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[[5-(2-chlorophenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 2-[[[5-(2-chlorophenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 2-[[5-(2-chlorophenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 2-[[[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=C3C#N)C4=CC=CC=C4Cl

Isomeric SMILES

C1CCC(C1)N2C(=NN=C2SCC3=CC=CC=C3C#N)C4=CC=CC=C4Cl

InChI

InChI=1S/C21H19ClN4S/c22-19-12-6-5-11-18(19)20-24-25-21(26(20)17-9-3-4-10-17)27-14-16-8-2-1-7-15(16)13-23/h1-2,5-8,11-12,17H,3-4,9-10,14H2