4-(4-ethoxyphenyl)-3-ethylsulfanyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazole

Systemtic Name: 4-(4-ethoxyphenyl)-3-ethylsulfanyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazole Openeye Name: 4-(4-ethoxyphenyl)-3-ethylsulfanyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazole CAS Name: 4-(4-ethoxyphenyl)-3-(ethylthio)-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazole IUPAC Name: 4-(4-ethoxyphenyl)-3-ethylsulfanyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazole Traditional Name: 3-(ethylthio)-4-p-phenetyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazole Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O4S/c1-6-28-16-10-8-15(9-11-16)24-20(22-23-21(24)29-7-2)14-12-17(25-3)19(27-5)18(13-14)26-4/h8-13H,6-7H2,1-5H3