1-[(7-chloranyl-1,3-benzodioxol-5-yl)methyl]-4-thiophen-2-yl-1,2,3,4-tetrazol-5-one

Systemtic Name: 1-[(7-chloranyl-1,3-benzodioxol-5-yl)methyl]-4-thiophen-2-yl-1,2,3,4-tetrazol-5-one Openeye Name: 1-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-4-(2-thienyl)tetrazol-5-one CAS Name: 1-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-4-thiophen-2-yl-5-tetrazolone IUPAC Name: 1-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-4-thiophen-2-yltetrazol-5-one Traditional Name: 1-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-4-(2-thienyl)tetrazol-5-one Formula: C13H9ClN4O3S MolecularWeight: 336.75356

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C(=CC(=C2)CN3C(=O)N(N=N3)C4=CC=CS4)Cl

Isomeric SMILES

C1OC2=C(O1)C(=CC(=C2)CN3C(=O)N(N=N3)C4=CC=CS4)Cl

InChI

InChI=1S/C13H9ClN4O3S/c14-9-4-8(5-10-12(9)21-7-20-10)6-17-13(19)18(16-15-17)11-2-1-3-22-11/h1-5H,6-7H2