1-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]-3-(3-nitrophenyl)thiourea

Systemtic Name: 1-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]-3-(3-nitrophenyl)thiourea Openeye Name: 1-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]-3-(3-nitrophenyl)thiourea CAS Name: 1-[(1-ethyl-5-methyl-4-pyrazolyl)methyl]-3-(3-nitrophenyl)thiourea IUPAC Name: 1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-3-(3-nitrophenyl)thiourea Traditional Name: 1-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]-3-(3-nitrophenyl)thiourea Formula: C14H17N5O2S MolecularWeight: 319.38208

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)CNC(=S)NC2=CC(=CC=C2)[N+](=O)[O-])C

Isomeric SMILES

CCN1C(=C(C=N1)CNC(=S)NC2=CC(=CC=C2)[N+](=O)[O-])C

InChI

InChI=1S/C14H17N5O2S/c1-3-18-10(2)11(9-16-18)8-15-14(22)17-12-5-4-6-13(7-12)19(20)21/h4-7,9H,3,8H2,1-2H3,(H2,15,17,22)