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

Systemtic Name: 3-[[5-(4-methoxyphenyl)-4-(2-propan-2-ylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Openeye Name: 3-[[4-(2-isopropylphenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile CAS Name: 3-[[5-(4-methoxyphenyl)-4-(2-propan-2-ylphenyl)-1,2,4-triazol-3-yl]thio]propanenitrile IUPAC Name: 3-[[5-(4-methoxyphenyl)-4-(2-propan-2-ylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Traditional Name: 3-[[5-(4-methoxyphenyl)-4-o-cumenyl-1,2,4-triazol-3-yl]thio]propionitrile Formula: C21H22N4OS MolecularWeight: 378.49058

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1N2C(=NN=C2SCCC#N)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)C1=CC=CC=C1N2C(=NN=C2SCCC#N)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H22N4OS/c1-15(2)18-7-4-5-8-19(18)25-20(16-9-11-17(26-3)12-10-16)23-24-21(25)27-14-6-13-22/h4-5,7-12,15H,6,14H2,1-3H3