3-[5-(1,2,4-triazol-1-yl)-1,3-thiazol-4-yl]benzenecarbonitrile

Systemtic Name: 3-[5-(1,2,4-triazol-1-yl)-1,3-thiazol-4-yl]benzenecarbonitrile Openeye Name: 3-[5-(1,2,4-triazol-1-yl)thiazol-4-yl]benzonitrile CAS Name: 3-[5-(1,2,4-triazol-1-yl)-4-thiazolyl]benzonitrile IUPAC Name: 3-[5-(1,2,4-triazol-1-yl)-1,3-thiazol-4-yl]benzonitrile Traditional Name: 3-[5-(1,2,4-triazol-1-yl)thiazol-4-yl]benzonitrile Formula: C12H7N5S MolecularWeight: 253.28248

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C2=C(SC=N2)N3C=NC=N3)C#N

Isomeric SMILES

C1=CC(=CC(=C1)C2=C(SC=N2)N3C=NC=N3)C#N

InChI

InChI=1S/C12H7N5S/c13-5-9-2-1-3-10(4-9)11-12(18-8-15-11)17-7-14-6-16-17/h1-4,6-8H