3-(2-chlorophenyl)-1,1-bis(2-cyanoethyl)thiourea

Systemtic Name: 3-(2-chlorophenyl)-1,1-bis(2-cyanoethyl)thiourea Openeye Name: 3-(2-chlorophenyl)-1,1-bis(2-cyanoethyl)thiourea CAS Name: 3-(2-chlorophenyl)-1,1-bis(2-cyanoethyl)thiourea IUPAC Name: 3-(2-chlorophenyl)-1,1-bis(2-cyanoethyl)thiourea Traditional Name: 3-(2-chlorophenyl)-1,1-bis(2-cyanoethyl)thiourea Formula: C13H13ClN4S MolecularWeight: 292.78712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13ClN4S/c14-11-5-1-2-6-12(11)17-13(19)18(9-3-7-15)10-4-8-16/h1-2,5-6H,3-4,9-10H2,(H,17,19)