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

Systemtic Name: 3-[(5-phenethyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[(5-phenethyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile CAS Name: 3-[[(5-phenethyl-4-phenyl-1,2,4-triazol-3-yl)thio]methyl]benzonitrile IUPAC Name: 3-[(5-phenethyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile Traditional Name: 3-[[(5-phenethyl-4-phenyl-1,2,4-triazol-3-yl)thio]methyl]benzonitrile Formula: C24H20N4S MolecularWeight: 396.5074

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC2=NN=C(N2C3=CC=CC=C3)SCC4=CC=CC(=C4)C#N

Isomeric SMILES

C1=CC=C(C=C1)CCC2=NN=C(N2C3=CC=CC=C3)SCC4=CC=CC(=C4)C#N

InChI

InChI=1S/C24H20N4S/c25-17-20-10-7-11-21(16-20)18-29-24-27-26-23(15-14-19-8-3-1-4-9-19)28(24)22-12-5-2-6-13-22/h1-13,16H,14-15,18H2