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

Systemtic Name: 4-[[5-(4-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]butanenitrile Openeye Name: 4-[[5-(4-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]butanenitrile CAS Name: 4-[[5-(4-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]butanenitrile IUPAC Name: 4-[[5-(4-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]butanenitrile Traditional Name: 4-[[5-(4-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]butyronitrile Formula: C21H22N4OS MolecularWeight: 378.49058

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN=C(N2CCC3=CC=CC=C3)SCCCC#N

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN=C(N2CCC3=CC=CC=C3)SCCCC#N

InChI

InChI=1S/C21H22N4OS/c1-26-19-11-9-18(10-12-19)20-23-24-21(27-16-6-5-14-22)25(20)15-13-17-7-3-2-4-8-17/h2-4,7-12H,5-6,13,15-16H2,1H3