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

Systemtic Name: 5-[4-[2-(1H-benzimidazol-2-ylsulfanyl)ethanoyl]piperazin-1-yl]-2-methyl-1,3-oxazole-4-carbonitrile Openeye Name: 5-[4-[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]piperazin-1-yl]-2-methyl-oxazole-4-carbonitrile CAS Name: 5-[4-[2-(1H-benzimidazol-2-ylthio)-1-oxoethyl]-1-piperazinyl]-2-methyl-4-oxazolecarbonitrile IUPAC Name: 5-[4-[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]piperazin-1-yl]-2-methyl-1,3-oxazole-4-carbonitrile Traditional Name: 5-[4-[2-(1H-benzimidazol-2-ylthio)acetyl]piperazino]-2-methyl-oxazole-4-carbonitrile Formula: C18H18N6O2S MolecularWeight: 382.43952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(O1)N2CCN(CC2)C(=O)CSC3=NC4=CC=CC=C4N3)C#N

Isomeric SMILES

CC1=NC(=C(O1)N2CCN(CC2)C(=O)CSC3=NC4=CC=CC=C4N3)C#N

InChI

InChI=1S/C18H18N6O2S/c1-12-20-15(10-19)17(26-12)24-8-6-23(7-9-24)16(25)11-27-18-21-13-4-2-3-5-14(13)22-18/h2-5H,6-9,11H2,1H3,(H,21,22)