3-[(E)-3-chloranylprop-2-enyl]sulfanyl-5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazole

Systemtic Name: 3-[(E)-3-chloranylprop-2-enyl]sulfanyl-5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazole Openeye Name: 3-[(E)-3-chloroallyl]sulfanyl-5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazole CAS Name: 3-[[(E)-3-chloroprop-2-enyl]thio]-5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazole IUPAC Name: 3-[(E)-3-chloroprop-2-enyl]sulfanyl-5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazole Traditional Name: 3-[[(E)-3-chloroallyl]thio]-5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazole Formula: C18H16ClN3OS MolecularWeight: 357.85714

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC=CCl

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SC/C=C/Cl

InChI

InChI=1S/C18H16ClN3OS/c1-23-16-10-8-14(9-11-16)17-20-21-18(24-13-5-12-19)22(17)15-6-3-2-4-7-15/h2-12H,13H2,1H3/b12-5+