2-[(4-azanyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(furan-2-ylcarbonyl)piperazin-1-yl]ethanone

Systemtic Name: 2-[(4-azanyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(furan-2-ylcarbonyl)piperazin-1-yl]ethanone Openeye Name: 2-[[4-amino-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone CAS Name: 2-[[4-amino-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-1-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]ethanone IUPAC Name: 2-[(4-amino-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone Traditional Name: 2-[[4-amino-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-1-[4-(2-furoyl)piperazino]ethanone Formula: C18H19N7O3S MolecularWeight: 413.45356

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CSC2=NN=C(N2N)C3=CN=CC=C3)C(=O)C4=CC=CO4

Isomeric SMILES

C1CN(CCN1C(=O)CSC2=NN=C(N2N)C3=CN=CC=C3)C(=O)C4=CC=CO4

InChI

InChI=1S/C18H19N7O3S/c19-25-16(13-3-1-5-20-11-13)21-22-18(25)29-12-15(26)23-6-8-24(9-7-23)17(27)14-4-2-10-28-14/h1-5,10-11H,6-9,12,19H2