2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)indolizine-1-carbonitrile

Systemtic Name: 2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)indolizine-1-carbonitrile Openeye Name: 2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)indolizine-1-carbonitrile CAS Name: 2-[(1H-1,2,4-triazol-5-ylthio)methyl]-1-indolizinecarbonitrile IUPAC Name: 2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)indolizine-1-carbonitrile Traditional Name: 2-[(1H-1,2,4-triazol-5-ylthio)methyl]indolizine-1-carbonitrile Formula: C12H9N5S MolecularWeight: 255.29836

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=CN2C=C1)CSC3=NC=NN3)C#N

Isomeric SMILES

C1=CC2=C(C(=CN2C=C1)CSC3=NC=NN3)C#N

InChI

InChI=1S/C12H9N5S/c13-5-10-9(7-18-12-14-8-15-16-12)6-17-4-2-1-3-11(10)17/h1-4,6,8H,7H2,(H,14,15,16)