7-chloranyl-2-[(1-cyclopropyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-1H-quinazolin-4-one

Systemtic Name: 7-chloranyl-2-[(1-cyclopropyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 7-chloro-2-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 7-chloro-2-[[(1-cyclopropyl-5-tetrazolyl)thio]methyl]-1H-quinazolin-4-one IUPAC Name: 7-chloro-2-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 7-chloro-2-[[(1-cyclopropyltetrazol-5-yl)thio]methyl]-1H-quinazolin-4-one Formula: C13H11ClN6OS MolecularWeight: 334.78404

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=N2)SCC3=NC(=O)C4=C(N3)C=C(C=C4)Cl

Isomeric SMILES

C1CC1N2C(=NN=N2)SCC3=NC(=O)C4=C(N3)C=C(C=C4)Cl

InChI

InChI=1S/C13H11ClN6OS/c14-7-1-4-9-10(5-7)15-11(16-12(9)21)6-22-13-17-18-19-20(13)8-2-3-8/h1,4-5,8H,2-3,6H2,(H,15,16,21)