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

Systemtic Name: 2-[[4-phenyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]indolizine-1-carbonitrile Openeye Name: 2-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]indolizine-1-carbonitrile CAS Name: 2-[[[4-phenyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]methyl]-1-indolizinecarbonitrile IUPAC Name: 2-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]indolizine-1-carbonitrile Traditional Name: 2-[[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)thio]methyl]indolizine-1-carbonitrile Formula: C25H19N5S MolecularWeight: 421.51686

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NN=C(N2C3=CC=CC=C3)SCC4=CN5C=CC=CC5=C4C#N

Isomeric SMILES

C1=CC=C(C=C1)CC2=NN=C(N2C3=CC=CC=C3)SCC4=CN5C=CC=CC5=C4C#N

InChI

InChI=1S/C25H19N5S/c26-16-22-20(17-29-14-8-7-13-23(22)29)18-31-25-28-27-24(15-19-9-3-1-4-10-19)30(25)21-11-5-2-6-12-21/h1-14,17H,15,18H2