1-(2-chloranyl-5-nitro-phenyl)-3-[2-(4-methylphenyl)sulfanylethyl]thiourea

Systemtic Name: 1-(2-chloranyl-5-nitro-phenyl)-3-[2-(4-methylphenyl)sulfanylethyl]thiourea Openeye Name: 1-(2-chloro-5-nitro-phenyl)-3-[2-(p-tolylsulfanyl)ethyl]thiourea CAS Name: 1-(2-chloro-5-nitrophenyl)-3-[2-[(4-methylphenyl)thio]ethyl]thiourea IUPAC Name: 1-(2-chloro-5-nitrophenyl)-3-[2-(4-methylphenyl)sulfanylethyl]thiourea Traditional Name: 1-(2-chloro-5-nitro-phenyl)-3-[2-(p-tolylthio)ethyl]thiourea Formula: C16H16ClN3O2S2 MolecularWeight: 381.90014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCNC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=CC=C(C=C1)SCCNC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H16ClN3O2S2/c1-11-2-5-13(6-3-11)24-9-8-18-16(23)19-15-10-12(20(21)22)4-7-14(15)17/h2-7,10H,8-9H2,1H3,(H2,18,19,23)