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

Systemtic Name: phenyl 2-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]ethanesulfonate Openeye Name: phenyl 2-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]ethanesulfonate CAS Name: 2-[[4-cyclopropyl-5-(3-indolylidene)-1H-1,2,4-triazol-3-yl]thio]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]ethanesulfonate Traditional Name: 2-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)thio]ethanesulfonic acid phenyl ester Formula: C21H20N4O3S2 MolecularWeight: 440.5385

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=C3C=NC4=CC=CC=C43)NN=C2SCCS(=O)(=O)OC5=CC=CC=C5

Isomeric SMILES

C1CC1N2C(=C3C=NC4=CC=CC=C43)NN=C2SCCS(=O)(=O)OC5=CC=CC=C5

InChI

InChI=1S/C21H20N4O3S2/c26-30(27,28-16-6-2-1-3-7-16)13-12-29-21-24-23-20(25(21)15-10-11-15)18-14-22-19-9-5-4-8-17(18)19/h1-9,14-15,23H,10-13H2