[3-(4-methoxyphenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazol-1-yl]-thiophen-2-yl-methanone

Systemtic Name: [3-(4-methoxyphenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazol-1-yl]-thiophen-2-yl-methanone Openeye Name: [5-benzylsulfanyl-3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-(2-thienyl)methanone CAS Name: [3-(4-methoxyphenyl)-5-(phenylmethylthio)-1,2,4-triazol-1-yl]-thiophen-2-ylmethanone IUPAC Name: [5-benzylsulfanyl-3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-thiophen-2-ylmethanone Traditional Name: [5-(benzylthio)-3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-(2-thienyl)methanone Formula: C21H17N3O2S2 MolecularWeight: 407.50858

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C(=N2)SCC3=CC=CC=C3)C(=O)C4=CC=CS4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C(=N2)SCC3=CC=CC=C3)C(=O)C4=CC=CS4

InChI

InChI=1S/C21H17N3O2S2/c1-26-17-11-9-16(10-12-17)19-22-21(28-14-15-6-3-2-4-7-15)24(23-19)20(25)18-8-5-13-27-18/h2-13H,14H2,1H3