3-(2-chloroethylsulfanyl)-4-prop-2-enyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazole

Systemtic Name: 3-(2-chloroethylsulfanyl)-4-prop-2-enyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazole Openeye Name: 4-allyl-3-(2-chloroethylsulfanyl)-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazole CAS Name: 3-(2-chloroethylthio)-4-prop-2-enyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazole IUPAC Name: 3-(2-chloroethylsulfanyl)-4-prop-2-enyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazole Traditional Name: 4-allyl-3-(2-chloroethylthio)-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazole Formula: C16H20ClN3O3S MolecularWeight: 369.8663

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=NN=C(N2CC=C)SCCCl

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=NN=C(N2CC=C)SCCCl

InChI

InChI=1S/C16H20ClN3O3S/c1-5-7-20-15(18-19-16(20)24-8-6-17)11-9-12(21-2)14(23-4)13(10-11)22-3/h5,9-10H,1,6-8H2,2-4H3