1-(3-chloranyl-2-methyl-phenyl)-3-(1,1,3,3,6-pentamethyl-7-nitro-2H-inden-5-yl)thiourea

Systemtic Name: 1-(3-chloranyl-2-methyl-phenyl)-3-(1,1,3,3,6-pentamethyl-7-nitro-2H-inden-5-yl)thiourea Openeye Name: 1-(3-chloro-2-methyl-phenyl)-3-(1,1,3,3,6-pentamethyl-7-nitro-indan-5-yl)thiourea CAS Name: 1-(3-chloro-2-methylphenyl)-3-(1,1,3,3,6-pentamethyl-7-nitro-2H-inden-5-yl)thiourea IUPAC Name: 1-(3-chloro-2-methylphenyl)-3-(1,1,3,3,6-pentamethyl-7-nitro-2H-inden-5-yl)thiourea Traditional Name: 1-(3-chloro-2-methyl-phenyl)-3-(1,1,3,3,6-pentamethyl-7-nitro-indan-5-yl)thiourea Formula: C22H26ClN3O2S MolecularWeight: 431.97874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=S)NC2=C(C(=C3C(=C2)C(CC3(C)C)(C)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=S)NC2=C(C(=C3C(=C2)C(CC3(C)C)(C)C)[N+](=O)[O-])C

InChI

InChI=1S/C22H26ClN3O2S/c1-12-15(23)8-7-9-16(12)24-20(29)25-17-10-14-18(19(13(17)2)26(27)28)22(5,6)11-21(14,3)4/h7-10H,11H2,1-6H3,(H2,24,25,29)