2-(quinazolin-4-ylsulfanylmethyl)-1,3-benzothiazole

Systemtic Name: 2-(quinazolin-4-ylsulfanylmethyl)-1,3-benzothiazole Openeye Name: 2-(quinazolin-4-ylsulfanylmethyl)-1,3-benzothiazole CAS Name: 2-[(4-quinazolinylthio)methyl]-1,3-benzothiazole IUPAC Name: 2-(quinazolin-4-ylsulfanylmethyl)-1,3-benzothiazole Traditional Name: 2-[(quinazolin-4-ylthio)methyl]-1,3-benzothiazole Formula: C16H11N3S2 MolecularWeight: 309.40864

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC=N2)SCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC=N2)SCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C16H11N3S2/c1-2-6-12-11(5-1)16(18-10-17-12)20-9-15-19-13-7-3-4-8-14(13)21-15/h1-8,10H,9H2