2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanylmethyl]quinazolin-4-amine

Systemtic Name: 2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanylmethyl]quinazolin-4-amine Openeye Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanylmethyl]quinazolin-4-amine CAS Name: 2-[[(5-chloro-1,3-benzothiazol-2-yl)thio]methyl]-4-quinazolinamine IUPAC Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanylmethyl]quinazolin-4-amine Traditional Name: [2-[[(5-chloro-1,3-benzothiazol-2-yl)thio]methyl]quinazolin-4-yl]amine Formula: C16H11ClN4S2 MolecularWeight: 358.86834

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC(=N2)CSC3=NC4=C(S3)C=CC(=C4)Cl)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC(=N2)CSC3=NC4=C(S3)C=CC(=C4)Cl)N

InChI

InChI=1S/C16H11ClN4S2/c17-9-5-6-13-12(7-9)20-16(23-13)22-8-14-19-11-4-2-1-3-10(11)15(18)21-14/h1-7H,8H2,(H2,18,19,21)