4-[(4-phenyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 4-[(4-phenyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[(4-phenyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile CAS Name: 4-[[[4-phenyl-5-(2-pyrazinyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 4-[(4-phenyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile Traditional Name: 4-[[(4-phenyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)thio]methyl]benzonitrile Formula: C20H14N6S MolecularWeight: 370.43036

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)C#N)C4=NC=CN=C4

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)C#N)C4=NC=CN=C4

InChI

InChI=1S/C20H14N6S/c21-12-15-6-8-16(9-7-15)14-27-20-25-24-19(18-13-22-10-11-23-18)26(20)17-4-2-1-3-5-17/h1-11,13H,14H2