1-(2-methyl-5-nitro-phenyl)-3-(phenylmethyl)thiourea

Systemtic Name: 1-(2-methyl-5-nitro-phenyl)-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-(2-methyl-5-nitro-phenyl)thiourea CAS Name: 1-(2-methyl-5-nitrophenyl)-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-(2-methyl-5-nitrophenyl)thiourea Traditional Name: 1-benzyl-3-(2-methyl-5-nitro-phenyl)thiourea Formula: C15H15N3O2S MolecularWeight: 301.3635

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=S)NCC2=CC=CC=C2

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=S)NCC2=CC=CC=C2

InChI

InChI=1S/C15H15N3O2S/c1-11-7-8-13(18(19)20)9-14(11)17-15(21)16-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H2,16,17,21)