2-[[5-phenyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-thiophen-2-yl-ethanone

Systemtic Name: 2-[[5-phenyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-thiophen-2-yl-ethanone Openeye Name: 2-[(4-benzyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(2-thienyl)ethanone CAS Name: 2-[[5-phenyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-1-thiophen-2-ylethanone IUPAC Name: 2-[(4-benzyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-thiophen-2-ylethanone Traditional Name: 2-[(4-benzyl-5-phenyl-1,2,4-triazol-3-yl)thio]-1-(2-thienyl)ethanone Formula: C21H17N3OS2 MolecularWeight: 391.50918

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NN=C2SCC(=O)C3=CC=CS3)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NN=C2SCC(=O)C3=CC=CS3)C4=CC=CC=C4

InChI

InChI=1S/C21H17N3OS2/c25-18(19-12-7-13-26-19)15-27-21-23-22-20(17-10-5-2-6-11-17)24(21)14-16-8-3-1-4-9-16/h1-13H,14-15H2