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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2C(=NN=C2SCCCC#N)C3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)N2C(=NN=C2SCCCC#N)C3=CC=CC=C3)OC

InChI

InChI=1S/C20H20N4O2S/c1-25-17-11-10-16(14-18(17)26-2)24-19(15-8-4-3-5-9-15)22-23-20(24)27-13-7-6-12-21/h3-5,8-11,14H,6-7,13H2,1-2H3