[4-[(3-chloranyl-4-methyl-phenyl)carbamothioylamino]phenyl]sulfonyl-pyrimidin-2-yl-azanide

Systemtic Name: [4-[(3-chloranyl-4-methyl-phenyl)carbamothioylamino]phenyl]sulfonyl-pyrimidin-2-yl-azanide Openeye Name: [4-[(3-chloro-4-methyl-phenyl)carbamothioylamino]phenyl]sulfonyl-pyrimidin-2-yl-azanide CAS Name: [4-[[(3-chloro-4-methylanilino)-sulfanylidenemethyl]amino]phenyl]sulfonyl-(2-pyrimidinyl)azanide IUPAC Name: [4-[(3-chloro-4-methylphenyl)carbamothioylamino]phenyl]sulfonyl-pyrimidin-2-ylazanide Traditional Name: [4-[(3-chloro-4-methyl-phenyl)thiocarbamoylamino]phenyl]sulfonyl-(2-pyrimidyl)azanide Formula: C18H15ClN5O2S2- MolecularWeight: 432.927

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)[N-]C3=NC=CC=N3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)[N-]C3=NC=CC=N3)Cl

InChI

InChI=1S/C18H16ClN5O2S2/c1-12-3-4-14(11-16(12)19)23-18(27)22-13-5-7-15(8-6-13)28(25,26)24-17-20-9-2-10-21-17/h2-11H,1H3,(H3,20,21,22,23,24,27)/p-1