1-(4-methyl-3-nitro-phenyl)-3-prop-2-enyl-thiourea

Systemtic Name: 1-(4-methyl-3-nitro-phenyl)-3-prop-2-enyl-thiourea Openeye Name: 1-allyl-3-(4-methyl-3-nitro-phenyl)thiourea CAS Name: 1-(4-methyl-3-nitrophenyl)-3-prop-2-enylthiourea IUPAC Name: 1-(4-methyl-3-nitrophenyl)-3-prop-2-enylthiourea Traditional Name: 1-allyl-3-(4-methyl-3-nitro-phenyl)thiourea Formula: C11H13N3O2S MolecularWeight: 251.30482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NCC=C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NCC=C)[N+](=O)[O-]

InChI

InChI=1S/C11H13N3O2S/c1-3-6-12-11(17)13-9-5-4-8(2)10(7-9)14(15)16/h3-5,7H,1,6H2,2H3,(H2,12,13,17)