1-(2-oxidanylidenethiolan-3-yl)-3-(pyridin-3-ylmethyl)thiourea

Systemtic Name: 1-(2-oxidanylidenethiolan-3-yl)-3-(pyridin-3-ylmethyl)thiourea Openeye Name: 1-(2-oxotetrahydrothiophen-3-yl)-3-(3-pyridylmethyl)thiourea CAS Name: 1-(2-oxo-3-thiolanyl)-3-(3-pyridinylmethyl)thiourea IUPAC Name: 1-(2-oxothiolan-3-yl)-3-(pyridin-3-ylmethyl)thiourea Traditional Name: 1-(2-ketotetrahydrothiophen-3-yl)-3-(3-pyridylmethyl)thiourea Formula: C11H13N3OS2 MolecularWeight: 267.37042

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(=O)C1NC(=S)NCC2=CN=CC=C2

Isomeric SMILES

C1CSC(=O)C1NC(=S)NCC2=CN=CC=C2

InChI

InChI=1S/C11H13N3OS2/c15-10-9(3-5-17-10)14-11(16)13-7-8-2-1-4-12-6-8/h1-2,4,6,9H,3,5,7H2,(H2,13,14,16)