4-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)-sulfanyl-methyl]benzenecarbonitrile

Systemtic Name: 4-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)-sulfanyl-methyl]benzenecarbonitrile Openeye Name: 4-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)-sulfanyl-methyl]benzonitrile CAS Name: 4-[mercapto-[4-methyl-5-(2-pyrazinyl)-1,2,4-triazol-3-yl]methyl]benzonitrile IUPAC Name: 4-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)-sulfanylmethyl]benzonitrile Traditional Name: 4-[mercapto-(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)methyl]benzonitrile Formula: C15H12N6S MolecularWeight: 308.36098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1C(C2=CC=C(C=C2)C#N)S)C3=NC=CN=C3

Isomeric SMILES

CN1C(=NN=C1C(C2=CC=C(C=C2)C#N)S)C3=NC=CN=C3

InChI

InChI=1S/C15H12N6S/c1-21-14(12-9-17-6-7-18-12)19-20-15(21)13(22)11-4-2-10(8-16)3-5-11/h2-7,9,13,22H,1H3