3-[3-(5-chloranylpyrazin-2-yl)sulfanylphenyl]-1,1-dimethyl-thiourea

Systemtic Name: 3-[3-(5-chloranylpyrazin-2-yl)sulfanylphenyl]-1,1-dimethyl-thiourea Openeye Name: 3-[3-(5-chloropyrazin-2-yl)sulfanylphenyl]-1,1-dimethyl-thiourea CAS Name: 3-[3-[(5-chloro-2-pyrazinyl)thio]phenyl]-1,1-dimethylthiourea IUPAC Name: 3-[3-(5-chloropyrazin-2-yl)sulfanylphenyl]-1,1-dimethylthiourea Traditional Name: 3-[3-[(5-chloropyrazin-2-yl)thio]phenyl]-1,1-dimethyl-thiourea Formula: C13H13ClN4S2 MolecularWeight: 324.85212

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=S)NC1=CC(=CC=C1)SC2=CN=C(C=N2)Cl

Isomeric SMILES

CN(C)C(=S)NC1=CC(=CC=C1)SC2=CN=C(C=N2)Cl

InChI

InChI=1S/C13H13ClN4S2/c1-18(2)13(19)17-9-4-3-5-10(6-9)20-12-8-15-11(14)7-16-12/h3-8H,1-2H3,(H,17,19)