6-[5-[(4-chlorophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]quinoline

Systemtic Name: 6-[5-[(4-chlorophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]quinoline Openeye Name: 6-[4-allyl-5-[(4-chlorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]quinoline CAS Name: 6-[5-[(4-chlorophenyl)methylthio]-4-prop-2-enyl-1,2,4-triazol-3-yl]quinoline IUPAC Name: 6-[5-[(4-chlorophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]quinoline Traditional Name: 6-[4-allyl-5-[(4-chlorobenzyl)thio]-1,2,4-triazol-3-yl]quinoline Formula: C21H17ClN4S MolecularWeight: 392.90448

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC2=CC=C(C=C2)Cl)C3=CC4=C(C=C3)N=CC=C4

Isomeric SMILES

C=CCN1C(=NN=C1SCC2=CC=C(C=C2)Cl)C3=CC4=C(C=C3)N=CC=C4

InChI

InChI=1S/C21H17ClN4S/c1-2-12-26-20(17-7-10-19-16(13-17)4-3-11-23-19)24-25-21(26)27-14-15-5-8-18(22)9-6-15/h2-11,13H,1,12,14H2