3-[4-(5-chloranyl-2-methyl-phenyl)-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl]pyridine

Systemtic Name: 3-[4-(5-chloranyl-2-methyl-phenyl)-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl]pyridine Openeye Name: 3-[5-allylsulfanyl-4-(5-chloro-2-methyl-phenyl)-1,2,4-triazol-3-yl]pyridine CAS Name: 3-[4-(5-chloro-2-methylphenyl)-5-(prop-2-enylthio)-1,2,4-triazol-3-yl]pyridine IUPAC Name: 3-[4-(5-chloro-2-methylphenyl)-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl]pyridine Traditional Name: 3-[5-(allylthio)-4-(5-chloro-2-methyl-phenyl)-1,2,4-triazol-3-yl]pyridine Formula: C17H15ClN4S MolecularWeight: 342.8458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2C(=NN=C2SCC=C)C3=CN=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2C(=NN=C2SCC=C)C3=CN=CC=C3

InChI

InChI=1S/C17H15ClN4S/c1-3-9-23-17-21-20-16(13-5-4-8-19-11-13)22(17)15-10-14(18)7-6-12(15)2/h3-8,10-11H,1,9H2,2H3