3-(2-chloranyl-5-nitro-phenyl)-1,1-bis(prop-2-enyl)thiourea

Systemtic Name: 3-(2-chloranyl-5-nitro-phenyl)-1,1-bis(prop-2-enyl)thiourea Openeye Name: 1,1-diallyl-3-(2-chloro-5-nitro-phenyl)thiourea CAS Name: 3-(2-chloro-5-nitrophenyl)-1,1-bis(prop-2-enyl)thiourea IUPAC Name: 3-(2-chloro-5-nitrophenyl)-1,1-bis(prop-2-enyl)thiourea Traditional Name: 1,1-diallyl-3-(2-chloro-5-nitro-phenyl)thiourea Formula: C13H14ClN3O2S MolecularWeight: 311.78716

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN(CC=C)C(=S)NC1=C(C=CC(=C1)[N+](=O)[O-])Cl

Isomeric SMILES

C=CCN(CC=C)C(=S)NC1=C(C=CC(=C1)[N+](=O)[O-])Cl

InChI

InChI=1S/C13H14ClN3O2S/c1-3-7-16(8-4-2)13(20)15-12-9-10(17(18)19)5-6-11(12)14/h3-6,9H,1-2,7-8H2,(H,15,20)