2-[6-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-oxidanylidene-1H-pyrimidin-2-yl]-1-(3-chlorophenyl)guanidine

Systemtic Name: 2-[6-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-oxidanylidene-1H-pyrimidin-2-yl]-1-(3-chlorophenyl)guanidine Openeye Name: 2-[6-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-oxo-1H-pyrimidin-2-yl]-1-(3-chlorophenyl)guanidine CAS Name: 2-[6-[(1,3-benzothiazol-2-ylthio)methyl]-4-oxo-1H-pyrimidin-2-yl]-1-(3-chlorophenyl)guanidine IUPAC Name: 2-[6-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-oxo-1H-pyrimidin-2-yl]-1-(3-chlorophenyl)guanidine Traditional Name: 2-[6-[(1,3-benzothiazol-2-ylthio)methyl]-4-keto-1H-pyrimidin-2-yl]-1-(3-chlorophenyl)guanidine Formula: C19H15ClN6OS2 MolecularWeight: 442.945

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SCC3=CC(=O)N=C(N3)N=C(N)NC4=CC(=CC=C4)Cl

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SCC3=CC(=O)N=C(N3)/N=C(\N)/NC4=CC(=CC=C4)Cl

InChI

InChI=1S/C19H15ClN6OS2/c20-11-4-3-5-12(8-11)22-17(21)26-18-23-13(9-16(27)25-18)10-28-19-24-14-6-1-2-7-15(14)29-19/h1-9H,10H2,(H4,21,22,23,25,26,27)