2-[[1-(4-methoxyphenyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]quinazolin-3-ium-4-amine

Systemtic Name: 2-[[1-(4-methoxyphenyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]quinazolin-3-ium-4-amine Openeye Name: 2-[[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylmethyl]quinazolin-3-ium-4-amine CAS Name: 2-[[[1-(4-methoxyphenyl)-5-tetrazolyl]thio]methyl]-4-quinazolin-3-iumamine IUPAC Name: 2-[[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylmethyl]quinazolin-3-ium-4-amine Traditional Name: [2-[[[1-(4-methoxyphenyl)tetrazol-5-yl]thio]methyl]quinazolin-3-ium-4-yl]amine Formula: C17H16N7OS+ MolecularWeight: 366.42024

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=NN=N2)SCC3=NC4=CC=CC=C4C(=[NH+]3)N

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=NN=N2)SCC3=NC4=CC=CC=C4C(=[NH+]3)N

InChI

InChI=1S/C17H15N7OS/c1-25-12-8-6-11(7-9-12)24-17(21-22-23-24)26-10-15-19-14-5-3-2-4-13(14)16(18)20-15/h2-9H,10H2,1H3,(H2,18,19,20)/p+1