N-[2-(1,3-benzothiazol-6-ylsulfanyl)-6-(3-methylphenyl)pyrimidin-4-yl]-1,2,4-thiadiazol-5-amine

Systemtic Name: N-[2-(1,3-benzothiazol-6-ylsulfanyl)-6-(3-methylphenyl)pyrimidin-4-yl]-1,2,4-thiadiazol-5-amine Openeye Name: N-[2-(1,3-benzothiazol-6-ylsulfanyl)-6-(m-tolyl)pyrimidin-4-yl]-1,2,4-thiadiazol-5-amine CAS Name: N-[2-(1,3-benzothiazol-6-ylthio)-6-(3-methylphenyl)-4-pyrimidinyl]-1,2,4-thiadiazol-5-amine IUPAC Name: N-[2-(1,3-benzothiazol-6-ylsulfanyl)-6-(3-methylphenyl)pyrimidin-4-yl]-1,2,4-thiadiazol-5-amine Traditional Name: [2-(1,3-benzothiazol-6-ylthio)-6-(m-tolyl)pyrimidin-4-yl]-(1,2,4-thiadiazol-5-yl)amine Formula: C20H14N6S3 MolecularWeight: 434.56036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=CC(=NC(=N2)SC3=CC4=C(C=C3)N=CS4)NC5=NC=NS5

Isomeric SMILES

CC1=CC=CC(=C1)C2=CC(=NC(=N2)SC3=CC4=C(C=C3)N=CS4)NC5=NC=NS5

InChI

InChI=1S/C20H14N6S3/c1-12-3-2-4-13(7-12)16-9-18(25-19-21-10-23-29-19)26-20(24-16)28-14-5-6-15-17(8-14)27-11-22-15/h2-11H,1H3,(H,21,23,24,25,26)