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

Systemtic Name: 2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]indolizine-1-carbonitrile Openeye Name: 2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]indolizine-1-carbonitrile CAS Name: 2-[[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]methyl]-1-indolizinecarbonitrile IUPAC Name: 2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]indolizine-1-carbonitrile Traditional Name: 2-[[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]methyl]indolizine-1-carbonitrile Formula: C18H13N5S MolecularWeight: 331.39432

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=NN2)SCC3=CN4C=CC=CC4=C3C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=NN2)SCC3=CN4C=CC=CC4=C3C#N

InChI

InChI=1S/C18H13N5S/c19-10-15-14(11-23-9-5-4-8-16(15)23)12-24-18-20-17(21-22-18)13-6-2-1-3-7-13/h1-9,11H,12H2,(H,20,21,22)