2-[(4-azanyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 2-[(4-azanyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile CAS Name: 2-[[(4-amino-5-methyl-1,2,4-triazol-3-yl)thio]methyl]benzonitrile IUPAC Name: 2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile Traditional Name: 2-[[(4-amino-5-methyl-1,2,4-triazol-3-yl)thio]methyl]benzonitrile Formula: C11H11N5S MolecularWeight: 245.30354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1N)SCC2=CC=CC=C2C#N

Isomeric SMILES

CC1=NN=C(N1N)SCC2=CC=CC=C2C#N

InChI

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