1-[(2S)-butan-2-yl]-3-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethyl]thiourea

Systemtic Name: 1-[(2S)-butan-2-yl]-3-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethyl]thiourea Openeye Name: 1-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethyl]-3-[(1S)-1-methylpropyl]thiourea CAS Name: 1-[(2S)-butan-2-yl]-3-[2-(3,5-dimethyl-4-nitro-1-pyrazolyl)ethyl]thiourea IUPAC Name: 1-[(2S)-butan-2-yl]-3-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]thiourea Traditional Name: 1-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethyl]-3-[(1S)-1-methylpropyl]thiourea Formula: C12H21N5O2S MolecularWeight: 299.39244

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=S)NCCN1C(=C(C(=N1)C)[N+](=O)[O-])C

Isomeric SMILES

CC[C@H](C)NC(=S)NCCN1C(=C(C(=N1)C)[N+](=O)[O-])C

InChI

InChI=1S/C12H21N5O2S/c1-5-8(2)14-12(20)13-6-7-16-10(4)11(17(18)19)9(3)15-16/h8H,5-7H2,1-4H3,(H2,13,14,20)/t8-/m0/s1