1-(3-chloranyl-4-methyl-phenyl)-3-[(2,4-dinitrophenyl)amino]thiourea

Systemtic Name: 1-(3-chloranyl-4-methyl-phenyl)-3-[(2,4-dinitrophenyl)amino]thiourea Openeye Name: 1-(3-chloro-4-methyl-phenyl)-3-(2,4-dinitroanilino)thiourea CAS Name: 1-(3-chloro-4-methylphenyl)-3-(2,4-dinitroanilino)thiourea IUPAC Name: 1-(3-chloro-4-methylphenyl)-3-(2,4-dinitroanilino)thiourea Traditional Name: 1-(3-chloro-4-methyl-phenyl)-3-(2,4-dinitroanilino)thiourea Formula: C14H12ClN5O4S MolecularWeight: 381.79418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])Cl

InChI

InChI=1S/C14H12ClN5O4S/c1-8-2-3-9(6-11(8)15)16-14(25)18-17-12-5-4-10(19(21)22)7-13(12)20(23)24/h2-7,17H,1H3,(H2,16,18,25)