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

Systemtic Name: 1-(2-nitro-5-propylsulfanyl-phenyl)-3-pyridin-3-yl-thiourea Openeye Name: 1-(2-nitro-5-propylsulfanyl-phenyl)-3-(3-pyridyl)thiourea CAS Name: 1-[2-nitro-5-(propylthio)phenyl]-3-(3-pyridinyl)thiourea IUPAC Name: 1-(2-nitro-5-propylsulfanylphenyl)-3-pyridin-3-ylthiourea Traditional Name: 1-[2-nitro-5-(propylthio)phenyl]-3-(3-pyridyl)thiourea Formula: C15H16N4O2S2 MolecularWeight: 348.44314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16N4O2S2/c1-2-8-23-12-5-6-14(19(20)21)13(9-12)18-15(22)17-11-4-3-7-16-10-11/h3-7,9-10H,2,8H2,1H3,(H2,17,18,22)