4-[(4-methyl-1,2,4-triazol-3-yl)-sulfanyl-methyl]benzenecarbonitrile

Systemtic Name: 4-[(4-methyl-1,2,4-triazol-3-yl)-sulfanyl-methyl]benzenecarbonitrile Openeye Name: 4-[(4-methyl-1,2,4-triazol-3-yl)-sulfanyl-methyl]benzonitrile CAS Name: 4-[mercapto-(4-methyl-1,2,4-triazol-3-yl)methyl]benzonitrile IUPAC Name: 4-[(4-methyl-1,2,4-triazol-3-yl)-sulfanylmethyl]benzonitrile Traditional Name: 4-[mercapto-(4-methyl-1,2,4-triazol-3-yl)methyl]benzonitrile Formula: C11H10N4S MolecularWeight: 230.2889

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1C(C2=CC=C(C=C2)C#N)S

Isomeric SMILES

CN1C=NN=C1C(C2=CC=C(C=C2)C#N)S

InChI

InChI=1S/C11H10N4S/c1-15-7-13-14-11(15)10(16)9-4-2-8(6-12)3-5-9/h2-5,7,10,16H,1H3