1-(3-tert-butyl-1-methyl-4-oxidanylidene-indeno[1,2-c]pyrazol-6-yl)-3-(4-nitrophenyl)thiourea

Systemtic Name: 1-(3-tert-butyl-1-methyl-4-oxidanylidene-indeno[1,2-c]pyrazol-6-yl)-3-(4-nitrophenyl)thiourea Openeye Name: 1-(3-tert-butyl-1-methyl-4-oxo-indeno[1,2-c]pyrazol-6-yl)-3-(4-nitrophenyl)thiourea CAS Name: 1-(3-tert-butyl-1-methyl-4-oxo-6-indeno[1,2-c]pyrazolyl)-3-(4-nitrophenyl)thiourea IUPAC Name: 1-(3-tert-butyl-1-methyl-4-oxoindeno[1,2-c]pyrazol-6-yl)-3-(4-nitrophenyl)thiourea Traditional Name: 1-(3-tert-butyl-4-keto-1-methyl-indeno[1,2-c]pyrazol-6-yl)-3-(4-nitrophenyl)thiourea Formula: C22H21N5O3S MolecularWeight: 435.49884

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C2=C1C(=O)C3=C2C=CC(=C3)NC(=S)NC4=CC=C(C=C4)[N+](=O)[O-])C

Isomeric SMILES

CC(C)(C)C1=NN(C2=C1C(=O)C3=C2C=CC(=C3)NC(=S)NC4=CC=C(C=C4)[N+](=O)[O-])C

InChI

InChI=1S/C22H21N5O3S/c1-22(2,3)20-17-18(26(4)25-20)15-10-7-13(11-16(15)19(17)28)24-21(31)23-12-5-8-14(9-6-12)27(29)30/h5-11H,1-4H3,(H2,23,24,31)