tert-butyl 2-[[(5Z)-5-indol-3-ylidene-4-(oxolan-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: tert-butyl 2-[[(5Z)-5-indol-3-ylidene-4-(oxolan-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: tert-butyl 2-[[(5Z)-5-indol-3-ylidene-4-(tetrahydrofuran-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[(5Z)-5-(3-indolylidene)-4-(2-oxolanylmethyl)-1H-1,2,4-triazol-3-yl]thio]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[(5Z)-5-indol-3-ylidene-4-(oxolan-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[(5Z)-5-indol-3-ylidene-4-(tetrahydrofurfuryl)-1H-1,2,4-triazol-3-yl]thio]acetic acid tert-butyl ester Formula: C21H26N4O3S MolecularWeight: 414.52114

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CSC1=NNC(=C2C=NC3=CC=CC=C32)N1CC4CCCO4

Isomeric SMILES

CC(C)(C)OC(=O)CSC1=NN/C(=C/2\C=NC3=CC=CC=C32)/N1CC4CCCO4

InChI

InChI=1S/C21H26N4O3S/c1-21(2,3)28-18(26)13-29-20-24-23-19(25(20)12-14-7-6-10-27-14)16-11-22-17-9-5-4-8-15(16)17/h4-5,8-9,11,14,23H,6-7,10,12-13H2,1-3H3/b19-16-