4-(4-ethoxyphenyl)-3-(3-methoxyphenyl)-5-prop-2-enylsulfanyl-1,2,4-triazole

Systemtic Name: 4-(4-ethoxyphenyl)-3-(3-methoxyphenyl)-5-prop-2-enylsulfanyl-1,2,4-triazole Openeye Name: 3-allylsulfanyl-4-(4-ethoxyphenyl)-5-(3-methoxyphenyl)-1,2,4-triazole CAS Name: 4-(4-ethoxyphenyl)-3-(3-methoxyphenyl)-5-(prop-2-enylthio)-1,2,4-triazole IUPAC Name: 4-(4-ethoxyphenyl)-3-(3-methoxyphenyl)-5-prop-2-enylsulfanyl-1,2,4-triazole Traditional Name: 3-(allylthio)-5-(3-methoxyphenyl)-4-p-phenetyl-1,2,4-triazole Formula: C20H21N3O2S MolecularWeight: 367.46464

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC=C)C3=CC(=CC=C3)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC=C)C3=CC(=CC=C3)OC

InChI

InChI=1S/C20H21N3O2S/c1-4-13-26-20-22-21-19(15-7-6-8-18(14-15)24-3)23(20)16-9-11-17(12-10-16)25-5-2/h4,6-12,14H,1,5,13H2,2-3H3