phenyl 2-[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanesulfonate

Systemtic Name: phenyl 2-[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanesulfonate Openeye Name: phenyl 2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]ethanesulfonate CAS Name: 2-[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]ethanesulfonate Traditional Name: 2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)thio]ethanesulfonic acid phenyl ester Formula: C20H21N3O3S2 MolecularWeight: 415.52904

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2CC3=CC=CC=C3)SCCS(=O)(=O)OC4=CC=CC=C4

Isomeric SMILES

C1CC1C2=NN=C(N2CC3=CC=CC=C3)SCCS(=O)(=O)OC4=CC=CC=C4

InChI

InChI=1S/C20H21N3O3S2/c24-28(25,26-18-9-5-2-6-10-18)14-13-27-20-22-21-19(17-11-12-17)23(20)15-16-7-3-1-4-8-16/h1-10,17H,11-15H2