2-[2-(phenylmethylsulfanyl)pyrimidin-4-yl]-1,3-benzothiazole

Systemtic Name: 2-[2-(phenylmethylsulfanyl)pyrimidin-4-yl]-1,3-benzothiazole Openeye Name: 2-(2-benzylsulfanylpyrimidin-4-yl)-1,3-benzothiazole CAS Name: 2-[2-(phenylmethylthio)-4-pyrimidinyl]-1,3-benzothiazole IUPAC Name: 2-(2-benzylsulfanylpyrimidin-4-yl)-1,3-benzothiazole Traditional Name: 2-[2-(benzylthio)pyrimidin-4-yl]-1,3-benzothiazole Formula: C18H13N3S2 MolecularWeight: 335.44592

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC=CC(=N2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC=CC(=N2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C18H13N3S2/c1-2-6-13(7-3-1)12-22-18-19-11-10-15(21-18)17-20-14-8-4-5-9-16(14)23-17/h1-11H,12H2