N-[2,6-bis(oxidanylidene)-3-phenethyl-pyrimidin-4-yl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanamide

Systemtic Name: N-[2,6-bis(oxidanylidene)-3-phenethyl-pyrimidin-4-yl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanamide Openeye Name: N-(2,6-dioxo-3-phenethyl-pyrimidin-4-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide CAS Name: N-(2,6-dioxo-3-phenethyl-4-pyrimidinyl)-2-(1H-1,2,4-triazol-5-ylthio)acetamide IUPAC Name: N-(2,6-dioxo-3-phenethylpyrimidin-4-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide Traditional Name: N-(2,6-diketo-3-phenethyl-pyrimidin-4-yl)-2-(1H-1,2,4-triazol-5-ylthio)acetamide Formula: C16H16N6O3S MolecularWeight: 372.40164

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=CC(=O)NC2=O)NC(=O)CSC3=NC=NN3

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=CC(=O)NC2=O)NC(=O)CSC3=NC=NN3

InChI

InChI=1S/C16H16N6O3S/c23-13-8-12(19-14(24)9-26-15-17-10-18-21-15)22(16(25)20-13)7-6-11-4-2-1-3-5-11/h1-5,8,10H,6-7,9H2,(H,19,24)(H,17,18,21)(H,20,23,25)