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

Systemtic Name: 2-[[4-(2-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[[4-(2-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 2-[[[4-(2-chlorophenyl)-5-(1-pyrrolidinyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 2-[[4-(2-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 2-[[[4-(2-chlorophenyl)-5-pyrrolidino-1,2,4-triazol-3-yl]thio]methyl]benzonitrile Formula: C20H18ClN5S MolecularWeight: 395.90842

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NN=C(N2C3=CC=CC=C3Cl)SCC4=CC=CC=C4C#N

Isomeric SMILES

C1CCN(C1)C2=NN=C(N2C3=CC=CC=C3Cl)SCC4=CC=CC=C4C#N

InChI

InChI=1S/C20H18ClN5S/c21-17-9-3-4-10-18(17)26-19(25-11-5-6-12-25)23-24-20(26)27-14-16-8-2-1-7-15(16)13-22/h1-4,7-10H,5-6,11-12,14H2