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

Systemtic Name: 2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(2,5-dimethyl-1-propyl-pyrrol-3-yl)ethanone Openeye Name: 2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(2,5-dimethyl-1-propyl-pyrrol-3-yl)ethanone CAS Name: 2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)thio]-1-(2,5-dimethyl-1-propyl-3-pyrrolyl)ethanone IUPAC Name: 2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(2,5-dimethyl-1-propylpyrrol-3-yl)ethanone Traditional Name: 2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)thio]-1-(2,5-dimethyl-1-propyl-pyrrol-3-yl)ethanone Formula: C16H22N4OS MolecularWeight: 318.43708

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=C1C)C(=O)CSC2=NNC(=N2)C3CC3)C

Isomeric SMILES

CCCN1C(=CC(=C1C)C(=O)CSC2=NNC(=N2)C3CC3)C

InChI

InChI=1S/C16H22N4OS/c1-4-7-20-10(2)8-13(11(20)3)14(21)9-22-16-17-15(18-19-16)12-5-6-12/h8,12H,4-7,9H2,1-3H3,(H,17,18,19)