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

Systemtic Name: 4-[[4-(4-chlorophenyl)-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]butanenitrile Openeye Name: 4-[[4-(4-chlorophenyl)-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]butanenitrile CAS Name: 4-[[4-(4-chlorophenyl)-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]butanenitrile IUPAC Name: 4-[[4-(4-chlorophenyl)-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]butanenitrile Traditional Name: 4-[[4-(4-chlorophenyl)-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]butyronitrile Formula: C19H17ClN4OS MolecularWeight: 384.88248

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NN=C(N2C3=CC=C(C=C3)Cl)SCCCC#N

Isomeric SMILES

COC1=CC=CC=C1C2=NN=C(N2C3=CC=C(C=C3)Cl)SCCCC#N

InChI

InChI=1S/C19H17ClN4OS/c1-25-17-7-3-2-6-16(17)18-22-23-19(26-13-5-4-12-21)24(18)15-10-8-14(20)9-11-15/h2-3,6-11H,4-5,13H2,1H3