4-(2-methoxy-5-methyl-phenyl)-3-(phenylmethylsulfanyl)-5-thiophen-2-yl-1,2,4-triazole

Systemtic Name: 4-(2-methoxy-5-methyl-phenyl)-3-(phenylmethylsulfanyl)-5-thiophen-2-yl-1,2,4-triazole Openeye Name: 3-benzylsulfanyl-4-(2-methoxy-5-methyl-phenyl)-5-(2-thienyl)-1,2,4-triazole CAS Name: 4-(2-methoxy-5-methylphenyl)-3-(phenylmethylthio)-5-thiophen-2-yl-1,2,4-triazole IUPAC Name: 3-benzylsulfanyl-4-(2-methoxy-5-methylphenyl)-5-thiophen-2-yl-1,2,4-triazole Traditional Name: 3-(benzylthio)-4-(2-methoxy-5-methyl-phenyl)-5-(2-thienyl)-1,2,4-triazole Formula: C21H19N3OS2 MolecularWeight: 393.52506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)N2C(=NN=C2SCC3=CC=CC=C3)C4=CC=CS4

Isomeric SMILES

CC1=CC(=C(C=C1)OC)N2C(=NN=C2SCC3=CC=CC=C3)C4=CC=CS4

InChI

InChI=1S/C21H19N3OS2/c1-15-10-11-18(25-2)17(13-15)24-20(19-9-6-12-26-19)22-23-21(24)27-14-16-7-4-3-5-8-16/h3-13H,14H2,1-2H3