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

Systemtic Name: 3-[[5-(2-methoxyphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Openeye Name: 3-[[5-(2-methoxyphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile CAS Name: 3-[[5-(2-methoxyphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]propanenitrile IUPAC Name: 3-[[5-(2-methoxyphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Traditional Name: 3-[[5-(2-methoxyphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]propionitrile Formula: C19H18N4O2S MolecularWeight: 366.43682

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=NN=C2SCCC#N)C3=CC=CC=C3OC

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=NN=C2SCCC#N)C3=CC=CC=C3OC

InChI

InChI=1S/C19H18N4O2S/c1-24-15-10-8-14(9-11-15)23-18(16-6-3-4-7-17(16)25-2)21-22-19(23)26-13-5-12-20/h3-4,6-11H,5,13H2,1-2H3