1-[(3-bromophenyl)methyl]-3-(4-chlorophenyl)-1-(pyridin-3-ylmethyl)thiourea

Systemtic Name: 1-[(3-bromophenyl)methyl]-3-(4-chlorophenyl)-1-(pyridin-3-ylmethyl)thiourea Openeye Name: 1-[(3-bromophenyl)methyl]-3-(4-chlorophenyl)-1-(3-pyridylmethyl)thiourea CAS Name: 1-[(3-bromophenyl)methyl]-3-(4-chlorophenyl)-1-(3-pyridinylmethyl)thiourea IUPAC Name: 1-[(3-bromophenyl)methyl]-3-(4-chlorophenyl)-1-(pyridin-3-ylmethyl)thiourea Traditional Name: 1-(3-bromobenzyl)-3-(4-chlorophenyl)-1-(3-pyridylmethyl)thiourea Formula: C20H17BrClN3S MolecularWeight: 446.79108

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)CN(CC2=CN=CC=C2)C(=S)NC3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC(=CC(=C1)Br)CN(CC2=CN=CC=C2)C(=S)NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H17BrClN3S/c21-17-5-1-3-15(11-17)13-25(14-16-4-2-10-23-12-16)20(26)24-19-8-6-18(22)7-9-19/h1-12H,13-14H2,(H,24,26)