4-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methoxy]benzenecarbonitrile

Systemtic Name: 4-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methoxy]benzenecarbonitrile Openeye Name: 4-[(4-phenyl-5-thioxo-1H-1,2,4-triazol-3-yl)methoxy]benzonitrile CAS Name: 4-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methoxy]benzonitrile IUPAC Name: 4-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methoxy]benzonitrile Traditional Name: 4-[(4-phenyl-5-thioxo-1H-1,2,4-triazol-3-yl)methoxy]benzonitrile Formula: C16H12N4OS MolecularWeight: 308.35768

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NNC2=S)COC3=CC=C(C=C3)C#N

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NNC2=S)COC3=CC=C(C=C3)C#N

InChI

InChI=1S/C16H12N4OS/c17-10-12-6-8-14(9-7-12)21-11-15-18-19-16(22)20(15)13-4-2-1-3-5-13/h1-9H,11H2,(H,19,22)