3-[5-[(5-chloranyl-2-methoxy-phenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]pyridine

Systemtic Name: 3-[5-[(5-chloranyl-2-methoxy-phenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]pyridine Openeye Name: 3-[4-allyl-5-[(5-chloro-2-methoxy-phenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine CAS Name: 3-[5-[(5-chloro-2-methoxyphenyl)methylthio]-4-prop-2-enyl-1,2,4-triazol-3-yl]pyridine IUPAC Name: 3-[5-[(5-chloro-2-methoxyphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]pyridine Traditional Name: 3-[4-allyl-5-[(5-chloro-2-methoxy-benzyl)thio]-1,2,4-triazol-3-yl]pyridine Formula: C18H17ClN4OS MolecularWeight: 372.87178

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)CSC2=NN=C(N2CC=C)C3=CN=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)CSC2=NN=C(N2CC=C)C3=CN=CC=C3

InChI

InChI=1S/C18H17ClN4OS/c1-3-9-23-17(13-5-4-8-20-11-13)21-22-18(23)25-12-14-10-15(19)6-7-16(14)24-2/h3-8,10-11H,1,9,12H2,2H3