1-(2-nitro-5-propylsulfanyl-phenyl)-3-phenyl-thiourea

Systemtic Name: 1-(2-nitro-5-propylsulfanyl-phenyl)-3-phenyl-thiourea Openeye Name: 1-(2-nitro-5-propylsulfanyl-phenyl)-3-phenyl-thiourea CAS Name: 1-[2-nitro-5-(propylthio)phenyl]-3-phenylthiourea IUPAC Name: 1-(2-nitro-5-propylsulfanylphenyl)-3-phenylthiourea Traditional Name: 1-[2-nitro-5-(propylthio)phenyl]-3-phenyl-thiourea Formula: C16H17N3O2S2 MolecularWeight: 347.45508

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=CC(=C(C=C1)[N+](=O)[O-])NC(=S)NC2=CC=CC=C2

Isomeric SMILES

CCCSC1=CC(=C(C=C1)[N+](=O)[O-])NC(=S)NC2=CC=CC=C2

InChI

InChI=1S/C16H17N3O2S2/c1-2-10-23-13-8-9-15(19(20)21)14(11-13)18-16(22)17-12-6-4-3-5-7-12/h3-9,11H,2,10H2,1H3,(H2,17,18,22)