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

Systemtic Name: 1-(2-methyl-5-nitro-phenyl)-3-(2-phenylsulfanylethyl)thiourea Openeye Name: 1-(2-methyl-5-nitro-phenyl)-3-(2-phenylsulfanylethyl)thiourea CAS Name: 1-(2-methyl-5-nitrophenyl)-3-[2-(phenylthio)ethyl]thiourea IUPAC Name: 1-(2-methyl-5-nitrophenyl)-3-(2-phenylsulfanylethyl)thiourea Traditional Name: 1-(2-methyl-5-nitro-phenyl)-3-[2-(phenylthio)ethyl]thiourea Formula: C16H17N3O2S2 MolecularWeight: 347.45508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=S)NCCSC2=CC=CC=C2

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=S)NCCSC2=CC=CC=C2

InChI

InChI=1S/C16H17N3O2S2/c1-12-7-8-13(19(20)21)11-15(12)18-16(22)17-9-10-23-14-5-3-2-4-6-14/h2-8,11H,9-10H2,1H3,(H2,17,18,22)