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

Systemtic Name: 1-(2-nitro-5-propylsulfanyl-phenyl)-3-prop-2-enyl-thiourea Openeye Name: 1-allyl-3-(2-nitro-5-propylsulfanyl-phenyl)thiourea CAS Name: 1-[2-nitro-5-(propylthio)phenyl]-3-prop-2-enylthiourea IUPAC Name: 1-(2-nitro-5-propylsulfanylphenyl)-3-prop-2-enylthiourea Traditional Name: 1-allyl-3-[2-nitro-5-(propylthio)phenyl]thiourea Formula: C13H17N3O2S2 MolecularWeight: 311.42298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3O2S2/c1-3-7-14-13(19)15-11-9-10(20-8-4-2)5-6-12(11)16(17)18/h3,5-6,9H,1,4,7-8H2,2H3,(H2,14,15,19)