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

Systemtic Name: 2-[[4-ethyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]indolizine-1-carbonitrile Openeye Name: 2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]indolizine-1-carbonitrile CAS Name: 2-[[[4-ethyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]methyl]-1-indolizinecarbonitrile IUPAC Name: 2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]indolizine-1-carbonitrile Traditional Name: 2-[[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)thio]methyl]indolizine-1-carbonitrile Formula: C21H19N5S MolecularWeight: 373.47406

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CN3C=CC=CC3=C2C#N)CC4=CC=CC=C4

Isomeric SMILES

CCN1C(=NN=C1SCC2=CN3C=CC=CC3=C2C#N)CC4=CC=CC=C4

InChI

InChI=1S/C21H19N5S/c1-2-26-20(12-16-8-4-3-5-9-16)23-24-21(26)27-15-17-14-25-11-7-6-10-19(25)18(17)13-22/h3-11,14H,2,12,15H2,1H3