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

Systemtic Name: 2-[[4-(2-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanylmethyl]indolizine-1-carbonitrile Openeye Name: 2-[[4-(2-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanylmethyl]indolizine-1-carbonitrile CAS Name: 2-[[[4-(2-chlorophenyl)-5-(1-pyrrolidinyl)-1,2,4-triazol-3-yl]thio]methyl]-1-indolizinecarbonitrile IUPAC Name: 2-[[4-(2-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanylmethyl]indolizine-1-carbonitrile Traditional Name: 2-[[[4-(2-chlorophenyl)-5-pyrrolidino-1,2,4-triazol-3-yl]thio]methyl]indolizine-1-carbonitrile Formula: C22H19ClN6S MolecularWeight: 434.94446

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NN=C(N2C3=CC=CC=C3Cl)SCC4=CN5C=CC=CC5=C4C#N

Isomeric SMILES

C1CCN(C1)C2=NN=C(N2C3=CC=CC=C3Cl)SCC4=CN5C=CC=CC5=C4C#N

InChI

InChI=1S/C22H19ClN6S/c23-18-7-1-2-9-20(18)29-21(27-10-5-6-11-27)25-26-22(29)30-15-16-14-28-12-4-3-8-19(28)17(16)13-24/h1-4,7-9,12,14H,5-6,10-11,15H2