2-cyclopropyl-5-[4-[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)phenyl]carbonylpiperazin-1-yl]-1,3-oxazole-4-carbonitrile

Systemtic Name: 2-cyclopropyl-5-[4-[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)phenyl]carbonylpiperazin-1-yl]-1,3-oxazole-4-carbonitrile Openeye Name: 2-cyclopropyl-5-[4-[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzoyl]piperazin-1-yl]oxazole-4-carbonitrile CAS Name: 2-cyclopropyl-5-[4-[oxo-[4-[(1H-1,2,4-triazol-5-ylthio)methyl]phenyl]methyl]-1-piperazinyl]-4-oxazolecarbonitrile IUPAC Name: 2-cyclopropyl-5-[4-[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzoyl]piperazin-1-yl]-1,3-oxazole-4-carbonitrile Traditional Name: 2-cyclopropyl-5-[4-[4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzoyl]piperazino]oxazole-4-carbonitrile Formula: C21H21N7O2S MolecularWeight: 435.50214

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NC(=C(O2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)CSC5=NC=NN5)C#N

Isomeric SMILES

C1CC1C2=NC(=C(O2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)CSC5=NC=NN5)C#N

InChI

InChI=1S/C21H21N7O2S/c22-11-17-20(30-18(25-17)15-5-6-15)28-9-7-27(8-10-28)19(29)16-3-1-14(2-4-16)12-31-21-23-13-24-26-21/h1-4,13,15H,5-10,12H2,(H,23,24,26)