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

Systemtic Name: 2-[[5-(3,4-dimethoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanenitrile Openeye Name: 2-[[5-(3,4-dimethoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetonitrile CAS Name: 2-[[5-(3,4-dimethoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetonitrile IUPAC Name: 2-[[5-(3,4-dimethoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetonitrile Traditional Name: 2-[[5-(3,4-dimethoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetonitrile Formula: C18H16N4O2S MolecularWeight: 352.41024

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC#N)OC

InChI

InChI=1S/C18H16N4O2S/c1-23-15-9-8-13(12-16(15)24-2)17-20-21-18(25-11-10-19)22(17)14-6-4-3-5-7-14/h3-9,12H,11H2,1-2H3