1-[(E)-1-(4-chloranyl-3-nitro-phenyl)ethylideneamino]-3-prop-2-enyl-thiourea

Systemtic Name: 1-[(E)-1-(4-chloranyl-3-nitro-phenyl)ethylideneamino]-3-prop-2-enyl-thiourea Openeye Name: 1-allyl-3-[(E)-1-(4-chloro-3-nitro-phenyl)ethylideneamino]thiourea CAS Name: 1-[(E)-1-(4-chloro-3-nitrophenyl)ethylideneamino]-3-prop-2-enylthiourea IUPAC Name: 1-[(E)-1-(4-chloro-3-nitrophenyl)ethylideneamino]-3-prop-2-enylthiourea Traditional Name: 1-allyl-3-[(E)-1-(4-chloro-3-nitro-phenyl)ethylideneamino]thiourea Formula: C12H13ClN4O2S MolecularWeight: 312.77522

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=S)NCC=C)C1=CC(=C(C=C1)Cl)[N+](=O)[O-]

Isomeric SMILES

C/C(=N\NC(=S)NCC=C)/C1=CC(=C(C=C1)Cl)[N+](=O)[O-]

InChI

InChI=1S/C12H13ClN4O2S/c1-3-6-14-12(20)16-15-8(2)9-4-5-10(13)11(7-9)17(18)19/h3-5,7H,1,6H2,2H3,(H2,14,16,20)/b15-8+