[4-(5-ethylthiophen-2-yl)-5-methyl-1,2,4-triazol-3-yl]methyl 4-methylbenzenesulfonate

Systemtic Name: [4-(5-ethylthiophen-2-yl)-5-methyl-1,2,4-triazol-3-yl]methyl 4-methylbenzenesulfonate Openeye Name: [4-(5-ethyl-2-thienyl)-5-methyl-1,2,4-triazol-3-yl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-(5-ethyl-2-thiophenyl)-5-methyl-1,2,4-triazol-3-yl]methyl ester IUPAC Name: [4-(5-ethylthiophen-2-yl)-5-methyl-1,2,4-triazol-3-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-(5-ethyl-2-thienyl)-5-methyl-1,2,4-triazol-3-yl]methyl ester Formula: C17H19N3O3S2 MolecularWeight: 377.48106

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(S1)N2C(=NN=C2COS(=O)(=O)C3=CC=C(C=C3)C)C

Isomeric SMILES

CCC1=CC=C(S1)N2C(=NN=C2COS(=O)(=O)C3=CC=C(C=C3)C)C

InChI

InChI=1S/C17H19N3O3S2/c1-4-14-7-10-17(24-14)20-13(3)18-19-16(20)11-23-25(21,22)15-8-5-12(2)6-9-15/h5-10H,4,11H2,1-3H3