2-[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(1H-pyrrol-2-yl)ethanone

Systemtic Name: 2-[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(1H-pyrrol-2-yl)ethanone Openeye Name: 2-[[4-cyclopropyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(1H-pyrrol-2-yl)ethanone CAS Name: 2-[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]-1-(1H-pyrrol-2-yl)ethanone IUPAC Name: 2-[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(1H-pyrrol-2-yl)ethanone Traditional Name: 2-[[4-cyclopropyl-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]-1-(1H-pyrrol-2-yl)ethanone Formula: C16H16N4OS2 MolecularWeight: 344.45444

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=C2SCC(=O)C3=CC=CN3)CC4=CC=CS4

Isomeric SMILES

C1CC1N2C(=NN=C2SCC(=O)C3=CC=CN3)CC4=CC=CS4

InChI

InChI=1S/C16H16N4OS2/c21-14(13-4-1-7-17-13)10-23-16-19-18-15(20(16)11-5-6-11)9-12-3-2-8-22-12/h1-4,7-8,11,17H,5-6,9-10H2