1-[2-(3-bromanyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl]-4-thiophen-2-yl-1,2,3,4-tetrazol-5-one

Systemtic Name: 1-[2-(3-bromanyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl]-4-thiophen-2-yl-1,2,3,4-tetrazol-5-one Openeye Name: 1-[2-(3-bromo-4-methoxy-phenyl)-2-oxo-ethyl]-4-(2-thienyl)tetrazol-5-one CAS Name: 1-[2-(3-bromo-4-methoxyphenyl)-2-oxoethyl]-4-thiophen-2-yl-5-tetrazolone IUPAC Name: 1-[2-(3-bromo-4-methoxyphenyl)-2-oxoethyl]-4-thiophen-2-yltetrazol-5-one Traditional Name: 1-[2-(3-bromo-4-methoxy-phenyl)-2-keto-ethyl]-4-(2-thienyl)tetrazol-5-one Formula: C14H11BrN4O3S MolecularWeight: 395.23114

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)CN2C(=O)N(N=N2)C3=CC=CS3)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)CN2C(=O)N(N=N2)C3=CC=CS3)Br

InChI

InChI=1S/C14H11BrN4O3S/c1-22-12-5-4-9(7-10(12)15)11(20)8-18-14(21)19(17-16-18)13-3-2-6-23-13/h2-7H,8H2,1H3