2-[(4-azanyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanenitrile

Systemtic Name: 2-[(4-azanyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanenitrile Openeye Name: 2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanenitrile CAS Name: 2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)thio]propanenitrile IUPAC Name: 2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanenitrile Traditional Name: 2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)thio]propionitrile Formula: C11H11N5S MolecularWeight: 245.30354

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)SC1=NN=C(N1N)C2=CC=CC=C2

Isomeric SMILES

CC(C#N)SC1=NN=C(N1N)C2=CC=CC=C2

InChI

InChI=1S/C11H11N5S/c1-8(7-12)17-11-15-14-10(16(11)13)9-5-3-2-4-6-9/h2-6,8H,13H2,1H3