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

Systemtic Name: 5-[(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)methyl]-2-phenyl-benzenecarbonitrile Openeye Name: 5-[(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)methyl]-2-phenyl-benzonitrile CAS Name: 5-[[3-(methylthio)-1H-1,2,4-triazol-5-yl]methyl]-2-phenylbenzonitrile IUPAC Name: 5-[(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)methyl]-2-phenylbenzonitrile Traditional Name: 5-[[3-(methylthio)-1H-1,2,4-triazol-5-yl]methyl]-2-phenyl-benzonitrile Formula: C17H14N4S MolecularWeight: 306.38486

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NNC(=N1)CC2=CC(=C(C=C2)C3=CC=CC=C3)C#N

Isomeric SMILES

CSC1=NNC(=N1)CC2=CC(=C(C=C2)C3=CC=CC=C3)C#N

InChI

InChI=1S/C17H14N4S/c1-22-17-19-16(20-21-17)10-12-7-8-15(14(9-12)11-18)13-5-3-2-4-6-13/h2-9H,10H2,1H3,(H,19,20,21)