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

Systemtic Name: 4-[[4-(3-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[[4-(3-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 4-[[[4-(3-chlorophenyl)-5-(1-pyrrolidinyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 4-[[4-(3-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 4-[[[4-(3-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=C3)Cl)SCC4=CC=C(C=C4)C#N

Isomeric SMILES

C1CCN(C1)C2=NN=C(N2C3=CC(=CC=C3)Cl)SCC4=CC=C(C=C4)C#N

InChI

InChI=1S/C20H18ClN5S/c21-17-4-3-5-18(12-17)26-19(25-10-1-2-11-25)23-24-20(26)27-14-16-8-6-15(13-22)7-9-16/h3-9,12H,1-2,10-11,14H2