1-(5-chloranylpyridin-2-yl)-3-(phenylmethyl)thiourea

Systemtic Name: 1-(5-chloranylpyridin-2-yl)-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-(5-chloro-2-pyridyl)thiourea CAS Name: 1-(5-chloro-2-pyridinyl)-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-(5-chloropyridin-2-yl)thiourea Traditional Name: 1-benzyl-3-(5-chloro-2-pyridyl)thiourea Formula: C13H12ClN3S MolecularWeight: 277.77248

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=S)NC2=NC=C(C=C2)Cl

Isomeric SMILES

C1=CC=C(C=C1)CNC(=S)NC2=NC=C(C=C2)Cl

InChI

InChI=1S/C13H12ClN3S/c14-11-6-7-12(15-9-11)17-13(18)16-8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H2,15,16,17,18)