2-methyl-2-[3-(phenylsulfanylmethyl)-5-(1,2,4-triazol-1-ylmethyl)phenyl]propanenitrile

Systemtic Name: 2-methyl-2-[3-(phenylsulfanylmethyl)-5-(1,2,4-triazol-1-ylmethyl)phenyl]propanenitrile Openeye Name: 2-methyl-2-[3-(phenylsulfanylmethyl)-5-(1,2,4-triazol-1-ylmethyl)phenyl]propanenitrile CAS Name: 2-methyl-2-[3-[(phenylthio)methyl]-5-(1,2,4-triazol-1-ylmethyl)phenyl]propanenitrile IUPAC Name: 2-methyl-2-[3-(phenylsulfanylmethyl)-5-(1,2,4-triazol-1-ylmethyl)phenyl]propanenitrile Traditional Name: 2-methyl-2-[3-[(phenylthio)methyl]-5-(1,2,4-triazol-1-ylmethyl)phenyl]propionitrile Formula: C20H20N4S MolecularWeight: 348.4646

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#N)C1=CC(=CC(=C1)CSC2=CC=CC=C2)CN3C=NC=N3

Isomeric SMILES

CC(C)(C#N)C1=CC(=CC(=C1)CSC2=CC=CC=C2)CN3C=NC=N3

InChI

InChI=1S/C20H20N4S/c1-20(2,13-21)18-9-16(11-24-15-22-14-23-24)8-17(10-18)12-25-19-6-4-3-5-7-19/h3-10,14-15H,11-12H2,1-2H3