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

Systemtic Name: butyl 2-[[(5Z)-5-indol-3-ylidene-4-(oxolan-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 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 butyl ester IUPAC Name: 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 butyl ester Formula: C21H26N4O3S MolecularWeight: 414.52114

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CSC1=NNC(=C2C=NC3=CC=CC=C32)N1CC4CCCO4

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O3S/c1-2-3-10-28-19(26)14-29-21-24-23-20(25(21)13-15-7-6-11-27-15)17-12-22-18-9-5-4-8-16(17)18/h4-5,8-9,12,15,23H,2-3,6-7,10-11,13-14H2,1H3/b20-17-