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

Systemtic Name: 3-[[4-(3,4-dimethoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-propanenitrile Openeye Name: 3-[[4-(3,4-dimethoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-propanenitrile CAS Name: 3-[[4-(3,4-dimethoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-2-methylpropanenitrile IUPAC Name: 3-[[4-(3,4-dimethoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-2-methylpropanenitrile Traditional Name: 3-[[4-(3,4-dimethoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-2-methyl-propionitrile Formula: C20H20N4O2S MolecularWeight: 380.4634

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC1=NN=C(N1C2=CC(=C(C=C2)OC)OC)C3=CC=CC=C3)C#N

Isomeric SMILES

CC(CSC1=NN=C(N1C2=CC(=C(C=C2)OC)OC)C3=CC=CC=C3)C#N

InChI

InChI=1S/C20H20N4O2S/c1-14(12-21)13-27-20-23-22-19(15-7-5-4-6-8-15)24(20)16-9-10-17(25-2)18(11-16)26-3/h4-11,14H,13H2,1-3H3