1-(3-bromophenyl)-3-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]thiourea

Systemtic Name: 1-(3-bromophenyl)-3-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]thiourea Openeye Name: 1-(3-bromophenyl)-3-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]thiourea CAS Name: 1-(3-bromophenyl)-3-[2-[(2-cyanophenyl)methylthio]ethyl]thiourea IUPAC Name: 1-(3-bromophenyl)-3-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]thiourea Traditional Name: 1-(3-bromophenyl)-3-[2-[(2-cyanobenzyl)thio]ethyl]thiourea Formula: C17H16BrN3S2 MolecularWeight: 406.36304

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSCCNC(=S)NC2=CC(=CC=C2)Br)C#N

Isomeric SMILES

C1=CC=C(C(=C1)CSCCNC(=S)NC2=CC(=CC=C2)Br)C#N

InChI

InChI=1S/C17H16BrN3S2/c18-15-6-3-7-16(10-15)21-17(22)20-8-9-23-12-14-5-2-1-4-13(14)11-19/h1-7,10H,8-9,12H2,(H2,20,21,22)