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

Systemtic Name: 2-[[5-methyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]indolizine-1-carbonitrile Openeye Name: 2-[[5-methyl-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanylmethyl]indolizine-1-carbonitrile CAS Name: 2-[[[5-methyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]methyl]-1-indolizinecarbonitrile IUPAC Name: 2-[[5-methyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]indolizine-1-carbonitrile Traditional Name: 2-[[[5-methyl-4-(p-tolyl)-1,2,4-triazol-3-yl]thio]methyl]indolizine-1-carbonitrile Formula: C20H17N5S MolecularWeight: 359.44748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=CN4C=CC=CC4=C3C#N)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=CN4C=CC=CC4=C3C#N)C

InChI

InChI=1S/C20H17N5S/c1-14-6-8-17(9-7-14)25-15(2)22-23-20(25)26-13-16-12-24-10-4-3-5-19(24)18(16)11-21/h3-10,12H,13H2,1-2H3