3-[2-[[4-[(5-nitropyridin-2-yl)amino]cyclohexyl]amino]ethanoyl]-1,3-thiazolidine-4-carbonitrile

Systemtic Name: 3-[2-[[4-[(5-nitropyridin-2-yl)amino]cyclohexyl]amino]ethanoyl]-1,3-thiazolidine-4-carbonitrile Openeye Name: 3-[2-[[4-[(5-nitro-2-pyridyl)amino]cyclohexyl]amino]acetyl]thiazolidine-4-carbonitrile CAS Name: 3-[2-[[4-[(5-nitro-2-pyridinyl)amino]cyclohexyl]amino]-1-oxoethyl]-4-thiazolidinecarbonitrile IUPAC Name: 3-[2-[[4-[(5-nitropyridin-2-yl)amino]cyclohexyl]amino]acetyl]-1,3-thiazolidine-4-carbonitrile Traditional Name: 3-[2-[[4-[(5-nitro-2-pyridyl)amino]cyclohexyl]amino]acetyl]thiazolidine-4-carbonitrile Formula: C17H22N6O3S MolecularWeight: 390.45998

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1NCC(=O)N2CSCC2C#N)NC3=NC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CC(CCC1NCC(=O)N2CSCC2C#N)NC3=NC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H22N6O3S/c18-7-15-10-27-11-22(15)17(24)9-19-12-1-3-13(4-2-12)21-16-6-5-14(8-20-16)23(25)26/h5-6,8,12-13,15,19H,1-4,9-11H2,(H,20,21)