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

Systemtic Name: 2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,5-dimethyl-1-propyl-pyrrol-3-yl)ethanone Openeye Name: 2-[[4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(2,5-dimethyl-1-propyl-pyrrol-3-yl)ethanone CAS Name: 2-[[4-cyclopropyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-1-(2,5-dimethyl-1-propyl-3-pyrrolyl)ethanone IUPAC Name: 2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,5-dimethyl-1-propylpyrrol-3-yl)ethanone Traditional Name: 2-[[4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-1-(2,5-dimethyl-1-propyl-pyrrol-3-yl)ethanone Formula: C21H25N5OS MolecularWeight: 395.5211

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=C1C)C(=O)CSC2=NN=C(N2C3CC3)C4=CN=CC=C4)C

Isomeric SMILES

CCCN1C(=CC(=C1C)C(=O)CSC2=NN=C(N2C3CC3)C4=CN=CC=C4)C

InChI

InChI=1S/C21H25N5OS/c1-4-10-25-14(2)11-18(15(25)3)19(27)13-28-21-24-23-20(26(21)17-7-8-17)16-6-5-9-22-12-16/h5-6,9,11-12,17H,4,7-8,10,13H2,1-3H3