1-[(E)-1-[2,5-bis(chloranyl)phenyl]ethylideneamino]-3-butyl-thiourea

Systemtic Name: 1-[(E)-1-[2,5-bis(chloranyl)phenyl]ethylideneamino]-3-butyl-thiourea Openeye Name: 1-butyl-3-[(E)-1-(2,5-dichlorophenyl)ethylideneamino]thiourea CAS Name: 1-butyl-3-[(E)-1-(2,5-dichlorophenyl)ethylideneamino]thiourea IUPAC Name: 1-butyl-3-[(E)-1-(2,5-dichlorophenyl)ethylideneamino]thiourea Traditional Name: 1-butyl-3-[(E)-1-(2,5-dichlorophenyl)ethylideneamino]thiourea Formula: C13H17Cl2N3S MolecularWeight: 318.26518

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NN=C(C)C1=C(C=CC(=C1)Cl)Cl

Isomeric SMILES

CCCCNC(=S)N/N=C(\C)/C1=C(C=CC(=C1)Cl)Cl

InChI

InChI=1S/C13H17Cl2N3S/c1-3-4-7-16-13(19)18-17-9(2)11-8-10(14)5-6-12(11)15/h5-6,8H,3-4,7H2,1-2H3,(H2,16,18,19)/b17-9+