N-[[4-(4-methoxyphenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-5-methyl-thiophene-2-carboxamide

Systemtic Name: N-[[4-(4-methoxyphenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-5-methyl-thiophene-2-carboxamide Openeye Name: N-[[5-benzylsulfanyl-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]-5-methyl-thiophene-2-carboxamide CAS Name: N-[[4-(4-methoxyphenyl)-5-(phenylmethylthio)-1,2,4-triazol-3-yl]methyl]-5-methyl-2-thiophenecarboxamide IUPAC Name: N-[[5-benzylsulfanyl-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]-5-methylthiophene-2-carboxamide Traditional Name: N-[[5-(benzylthio)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]-5-methyl-thiophene-2-carboxamide Formula: C23H22N4O2S2 MolecularWeight: 450.57638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)NCC2=NN=C(N2C3=CC=C(C=C3)OC)SCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(S1)C(=O)NCC2=NN=C(N2C3=CC=C(C=C3)OC)SCC4=CC=CC=C4

InChI

InChI=1S/C23H22N4O2S2/c1-16-8-13-20(31-16)22(28)24-14-21-25-26-23(30-15-17-6-4-3-5-7-17)27(21)18-9-11-19(29-2)12-10-18/h3-13H,14-15H2,1-2H3,(H,24,28)