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

Systemtic Name: 1-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]-3-(4-nitrophenyl)thiourea Openeye Name: 1-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]-3-(4-nitrophenyl)thiourea CAS Name: 1-[1-[(1-ethyl-4-pyrazolyl)methyl]-4-pyrazolyl]-3-(4-nitrophenyl)thiourea IUPAC Name: 1-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]-3-(4-nitrophenyl)thiourea Traditional Name: 1-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]-3-(4-nitrophenyl)thiourea Formula: C16H17N7O2S MolecularWeight: 371.41688

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=N1)CN2C=C(C=N2)NC(=S)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCN1C=C(C=N1)CN2C=C(C=N2)NC(=S)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H17N7O2S/c1-2-21-9-12(7-17-21)10-22-11-14(8-18-22)20-16(26)19-13-3-5-15(6-4-13)23(24)25/h3-9,11H,2,10H2,1H3,(H2,19,20,26)