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

Systemtic Name: 2-[6-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-oxidanylidene-1H-pyrimidin-2-yl]-1-(3-chloranyl-4-methyl-phenyl)guanidine Openeye Name: 2-[6-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-oxo-1H-pyrimidin-2-yl]-1-(3-chloro-4-methyl-phenyl)guanidine CAS Name: 2-[6-[(1,3-benzothiazol-2-ylthio)methyl]-4-oxo-1H-pyrimidin-2-yl]-1-(3-chloro-4-methylphenyl)guanidine IUPAC Name: 2-[6-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-oxo-1H-pyrimidin-2-yl]-1-(3-chloro-4-methylphenyl)guanidine Traditional Name: 2-[6-[(1,3-benzothiazol-2-ylthio)methyl]-4-keto-1H-pyrimidin-2-yl]-1-(3-chloro-4-methyl-phenyl)guanidine Formula: C20H17ClN6OS2 MolecularWeight: 456.97158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=NC2=NC(=O)C=C(N2)CSC3=NC4=CC=CC=C4S3)N)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N/C(=N/C2=NC(=O)C=C(N2)CSC3=NC4=CC=CC=C4S3)/N)Cl

InChI

InChI=1S/C20H17ClN6OS2/c1-11-6-7-12(8-14(11)21)23-18(22)27-19-24-13(9-17(28)26-19)10-29-20-25-15-4-2-3-5-16(15)30-20/h2-9H,10H2,1H3,(H4,22,23,24,26,27,28)