1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-(2-methoxy-4-nitro-phenyl)thiourea

Systemtic Name: 1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-(2-methoxy-4-nitro-phenyl)thiourea Openeye Name: 1-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-(2-methoxy-4-nitro-phenyl)thiourea CAS Name: 1-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-(2-methoxy-4-nitrophenyl)thiourea IUPAC Name: 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(2-methoxy-4-nitrophenyl)thiourea Traditional Name: 1-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-3-(2-methoxy-4-nitro-phenyl)thiourea Formula: C19H19N5O4S MolecularWeight: 413.45026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NC3=C(C=C(C=C3)[N+](=O)[O-])OC

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NC3=C(C=C(C=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C19H19N5O4S/c1-12-17(18(25)23(22(12)2)13-7-5-4-6-8-13)21-19(29)20-15-10-9-14(24(26)27)11-16(15)28-3/h4-11H,1-3H3,(H2,20,21,29)