piperidin-1-yl 3-[(2,3-dimethylindol-1-yl)methyl]-1,2,4-triazole-1-sulfinate

Systemtic Name: piperidin-1-yl 3-[(2,3-dimethylindol-1-yl)methyl]-1,2,4-triazole-1-sulfinate Openeye Name: 1-piperidyl 3-[(2,3-dimethylindol-1-yl)methyl]-1,2,4-triazole-1-sulfinate CAS Name: 3-[(2,3-dimethyl-1-indolyl)methyl]-1,2,4-triazole-1-sulfinic acid 1-piperidinyl ester IUPAC Name: piperidin-1-yl 3-[(2,3-dimethylindol-1-yl)methyl]-1,2,4-triazole-1-sulfinate Traditional Name: 3-[(2,3-dimethylindol-1-yl)methyl]-1,2,4-triazole-1-sulfinic acid piperidino ester Formula: C18H23N5O2S MolecularWeight: 373.47252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=CC=CC=C12)CC3=NN(C=N3)S(=O)ON4CCCCC4)C

Isomeric SMILES

CC1=C(N(C2=CC=CC=C12)CC3=NN(C=N3)S(=O)ON4CCCCC4)C

InChI

InChI=1S/C18H23N5O2S/c1-14-15(2)22(17-9-5-4-8-16(14)17)12-18-19-13-23(20-18)26(24)25-21-10-6-3-7-11-21/h4-5,8-9,13H,3,6-7,10-12H2,1-2H3