2-methyl-5-[4-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanoyl]piperazin-1-yl]-1,3-oxazole-4-carbonitrile

Systemtic Name: 2-methyl-5-[4-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanoyl]piperazin-1-yl]-1,3-oxazole-4-carbonitrile Openeye Name: 2-methyl-5-[4-[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]piperazin-1-yl]oxazole-4-carbonitrile CAS Name: 2-methyl-5-[4-[1-oxo-2-(1H-1,2,4-triazol-5-ylthio)ethyl]-1-piperazinyl]-4-oxazolecarbonitrile IUPAC Name: 2-methyl-5-[4-[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]piperazin-1-yl]-1,3-oxazole-4-carbonitrile Traditional Name: 2-methyl-5-[4-[2-(1H-1,2,4-triazol-5-ylthio)acetyl]piperazino]oxazole-4-carbonitrile Formula: C13H15N7O2S MolecularWeight: 333.3689

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(O1)N2CCN(CC2)C(=O)CSC3=NC=NN3)C#N

Isomeric SMILES

CC1=NC(=C(O1)N2CCN(CC2)C(=O)CSC3=NC=NN3)C#N

InChI

InChI=1S/C13H15N7O2S/c1-9-17-10(6-14)12(22-9)20-4-2-19(3-5-20)11(21)7-23-13-15-8-16-18-13/h8H,2-5,7H2,1H3,(H,15,16,18)