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

Systemtic Name: 4-(4-ethoxyphenyl)-3-[(3-methylphenyl)methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazole Openeye Name: 4-(4-ethoxyphenyl)-3-(m-tolylmethylsulfanyl)-5-(2-thienyl)-1,2,4-triazole CAS Name: 4-(4-ethoxyphenyl)-3-[(3-methylphenyl)methylthio]-5-thiophen-2-yl-1,2,4-triazole IUPAC Name: 4-(4-ethoxyphenyl)-3-[(3-methylphenyl)methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazole Traditional Name: 3-[(3-methylbenzyl)thio]-4-p-phenetyl-5-(2-thienyl)-1,2,4-triazole Formula: C22H21N3OS2 MolecularWeight: 407.55164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3OS2/c1-3-26-19-11-9-18(10-12-19)25-21(20-8-5-13-27-20)23-24-22(25)28-15-17-7-4-6-16(2)14-17/h4-14H,3,15H2,1-2H3