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

Systemtic Name: 2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(1H-pyrrol-2-yl)ethanone Openeye Name: 2-[[4-propyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(1H-pyrrol-2-yl)ethanone CAS Name: 2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-1-(1H-pyrrol-2-yl)ethanone IUPAC Name: 2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(1H-pyrrol-2-yl)ethanone Traditional Name: 2-[[4-propyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-1-(1H-pyrrol-2-yl)ethanone Formula: C16H17N5OS MolecularWeight: 327.40408

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SCC(=O)C2=CC=CN2)C3=CC=NC=C3

Isomeric SMILES

CCCN1C(=NN=C1SCC(=O)C2=CC=CN2)C3=CC=NC=C3

InChI

InChI=1S/C16H17N5OS/c1-2-10-21-15(12-5-8-17-9-6-12)19-20-16(21)23-11-14(22)13-4-3-7-18-13/h3-9,18H,2,10-11H2,1H3