2-[[4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1,2-diphenyl-ethanone

Systemtic Name: 2-[[4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1,2-diphenyl-ethanone Openeye Name: 2-[[4-phenethyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1,2-diphenyl-ethanone CAS Name: 2-[[4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]-1,2-diphenylethanone IUPAC Name: 2-[[4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1,2-diphenylethanone Traditional Name: 2-[[4-phenethyl-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]-1,2-diphenyl-ethanone Formula: C29H25N3OS2 MolecularWeight: 495.6583

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=NN=C2SC(C3=CC=CC=C3)C(=O)C4=CC=CC=C4)CC5=CC=CS5

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=NN=C2SC(C3=CC=CC=C3)C(=O)C4=CC=CC=C4)CC5=CC=CS5

InChI

InChI=1S/C29H25N3OS2/c33-27(23-13-6-2-7-14-23)28(24-15-8-3-9-16-24)35-29-31-30-26(21-25-17-10-20-34-25)32(29)19-18-22-11-4-1-5-12-22/h1-17,20,28H,18-19,21H2