2-methyl-2-[1-methyl-6-(5-sulfanylidene-2H-1,2,3,4-tetrazol-1-yl)indol-3-yl]propanoate

Systemtic Name: 2-methyl-2-[1-methyl-6-(5-sulfanylidene-2H-1,2,3,4-tetrazol-1-yl)indol-3-yl]propanoate Openeye Name: 2-methyl-2-[1-methyl-6-(5-thioxo-2H-tetrazol-1-yl)indol-3-yl]propanoate CAS Name: 2-methyl-2-[1-methyl-6-(5-sulfanylidene-2H-tetrazol-1-yl)-3-indolyl]propanoate IUPAC Name: 2-methyl-2-[1-methyl-6-(5-sulfanylidene-2H-tetrazol-1-yl)indol-3-yl]propanoate Traditional Name: 2-methyl-2-[1-methyl-6-(5-thioxo-2H-tetrazol-1-yl)indol-3-yl]propionate Formula: C14H14N5O2S- MolecularWeight: 316.35826

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CN(C2=C1C=CC(=C2)N3C(=S)N=NN3)C)C(=O)[O-]

Isomeric SMILES

CC(C)(C1=CN(C2=C1C=CC(=C2)N3C(=S)N=NN3)C)C(=O)[O-]

InChI

InChI=1S/C14H15N5O2S/c1-14(2,12(20)21)10-7-18(3)11-6-8(4-5-9(10)11)19-13(22)15-16-17-19/h4-7H,1-3H3,(H,20,21)(H,15,17,22)/p-1