[1-(triphenylmethyl)-1,2,3-triazol-4-yl]methyl 3-oxidanylidenebutanedithioate

Systemtic Name: [1-(triphenylmethyl)-1,2,3-triazol-4-yl]methyl 3-oxidanylidenebutanedithioate Openeye Name: (1-trityltriazol-4-yl)methyl 3-oxobutanedithioate CAS Name: 3-oxobutanedithioic acid [1-(triphenylmethyl)-4-triazolyl]methyl ester IUPAC Name: (1-trityltriazol-4-yl)methyl 3-oxobutanedithioate Traditional Name: 3-ketobutanedithioic acid (1-trityltriazol-4-yl)methyl ester Formula: C26H23N3OS2 MolecularWeight: 457.61032

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=S)SCC1=CN(N=N1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(=O)CC(=S)SCC1=CN(N=N1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H23N3OS2/c1-20(30)17-25(31)32-19-24-18-29(28-27-24)26(21-11-5-2-6-12-21,22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-16,18H,17,19H2,1H3