1,1-bis(2-cyanoethyl)-3-(3,4-dichlorophenyl)thiourea

Systemtic Name: 1,1-bis(2-cyanoethyl)-3-(3,4-dichlorophenyl)thiourea Openeye Name: 1,1-bis(2-cyanoethyl)-3-(3,4-dichlorophenyl)thiourea CAS Name: 1,1-bis(2-cyanoethyl)-3-(3,4-dichlorophenyl)thiourea IUPAC Name: 1,1-bis(2-cyanoethyl)-3-(3,4-dichlorophenyl)thiourea Traditional Name: 1,1-bis(2-cyanoethyl)-3-(3,4-dichlorophenyl)thiourea Formula: C13H12Cl2N4S MolecularWeight: 327.23218

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC(=S)N(CCC#N)CCC#N)Cl)Cl

Isomeric SMILES

C1=CC(=C(C=C1NC(=S)N(CCC#N)CCC#N)Cl)Cl

InChI

InChI=1S/C13H12Cl2N4S/c14-11-4-3-10(9-12(11)15)18-13(20)19(7-1-5-16)8-2-6-17/h3-4,9H,1-2,7-8H2,(H,18,20)