4-(4-ethoxyphenyl)-3-[(3-methoxyphenyl)methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazole

Systemtic Name: 4-(4-ethoxyphenyl)-3-[(3-methoxyphenyl)methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazole Openeye Name: 4-(4-ethoxyphenyl)-3-[(3-methoxyphenyl)methylsulfanyl]-5-(2-thienyl)-1,2,4-triazole CAS Name: 4-(4-ethoxyphenyl)-3-[(3-methoxyphenyl)methylthio]-5-thiophen-2-yl-1,2,4-triazole IUPAC Name: 4-(4-ethoxyphenyl)-3-[(3-methoxyphenyl)methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazole Traditional Name: 3-(m-anisylthio)-4-p-phenetyl-5-(2-thienyl)-1,2,4-triazole Formula: C22H21N3O2S2 MolecularWeight: 423.55104

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC(=CC=C3)OC)C4=CC=CS4

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC(=CC=C3)OC)C4=CC=CS4

InChI

InChI=1S/C22H21N3O2S2/c1-3-27-18-11-9-17(10-12-18)25-21(20-8-5-13-28-20)23-24-22(25)29-15-16-6-4-7-19(14-16)26-2/h4-14H,3,15H2,1-2H3