1-[(4-chlorophenyl)methyl]-3-(3-nitrophenyl)thiourea

Systemtic Name: 1-[(4-chlorophenyl)methyl]-3-(3-nitrophenyl)thiourea Openeye Name: 1-[(4-chlorophenyl)methyl]-3-(3-nitrophenyl)thiourea CAS Name: 1-[(4-chlorophenyl)methyl]-3-(3-nitrophenyl)thiourea IUPAC Name: 1-[(4-chlorophenyl)methyl]-3-(3-nitrophenyl)thiourea Traditional Name: 1-(4-chlorobenzyl)-3-(3-nitrophenyl)thiourea Formula: C14H12ClN3O2S MolecularWeight: 321.78198

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])NC(=S)NCC2=CC=C(C=C2)Cl

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])NC(=S)NCC2=CC=C(C=C2)Cl

InChI

InChI=1S/C14H12ClN3O2S/c15-11-6-4-10(5-7-11)9-16-14(21)17-12-2-1-3-13(8-12)18(19)20/h1-8H,9H2,(H2,16,17,21)