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

Systemtic Name: 2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]indolizine-1-carbonitrile Openeye Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]indolizine-1-carbonitrile CAS Name: 2-[[(5-amino-1H-1,2,4-triazol-3-yl)thio]methyl]-1-indolizinecarbonitrile IUPAC Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]indolizine-1-carbonitrile Traditional Name: 2-[[(5-amino-1H-1,2,4-triazol-3-yl)thio]methyl]indolizine-1-carbonitrile Formula: C12H10N6S MolecularWeight: 270.313

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10N6S/c13-5-9-8(6-18-4-2-1-3-10(9)18)7-19-12-15-11(14)16-17-12/h1-4,6H,7H2,(H3,14,15,16,17)