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

Systemtic Name: 2-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]indolizine-1-carbonitrile Openeye Name: 2-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]indolizine-1-carbonitrile CAS Name: 2-[[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-1-indolizinecarbonitrile IUPAC Name: 2-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]indolizine-1-carbonitrile Traditional Name: 2-[[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]indolizine-1-carbonitrile Formula: C18H12ClN5S MolecularWeight: 365.83938

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=CN2C=C1)CSC3=NNC(=N3)C4=CC=C(C=C4)Cl)C#N

Isomeric SMILES

C1=CC2=C(C(=CN2C=C1)CSC3=NNC(=N3)C4=CC=C(C=C4)Cl)C#N

InChI

InChI=1S/C18H12ClN5S/c19-14-6-4-12(5-7-14)17-21-18(23-22-17)25-11-13-10-24-8-2-1-3-16(24)15(13)9-20/h1-8,10H,11H2,(H,21,22,23)