3-[[4-phenyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile

Systemtic Name: 3-[[4-phenyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Openeye Name: 3-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanenitrile CAS Name: 3-[[4-phenyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]propanenitrile IUPAC Name: 3-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanenitrile Traditional Name: 3-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)thio]propionitrile Formula: C18H16N4S MolecularWeight: 320.41144

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NN=C(N2C3=CC=CC=C3)SCCC#N

Isomeric SMILES

C1=CC=C(C=C1)CC2=NN=C(N2C3=CC=CC=C3)SCCC#N

InChI

InChI=1S/C18H16N4S/c19-12-7-13-23-18-21-20-17(14-15-8-3-1-4-9-15)22(18)16-10-5-2-6-11-16/h1-6,8-11H,7,13-14H2