3-[[4-(4-ethoxyphenyl)-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile

Systemtic Name: 3-[[4-(4-ethoxyphenyl)-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Openeye Name: 3-[[4-(4-ethoxyphenyl)-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile CAS Name: 3-[[4-(4-ethoxyphenyl)-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]thio]propanenitrile IUPAC Name: 3-[[4-(4-ethoxyphenyl)-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Traditional Name: 3-[[5-(3-methoxyphenyl)-4-p-phenetyl-1,2,4-triazol-3-yl]thio]propionitrile Formula: C20H20N4O2S MolecularWeight: 380.4634

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=NN=C2SCCC#N)C3=CC(=CC=C3)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NN=C2SCCC#N)C3=CC(=CC=C3)OC

InChI

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