N-butyl-2-[[5-indol-3-ylidene-4-[[(2R)-oxolan-2-yl]methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-butyl-2-[[5-indol-3-ylidene-4-[[(2R)-oxolan-2-yl]methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-butyl-2-[[5-indol-3-ylidene-4-[[(2R)-tetrahydrofuran-2-yl]methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-butyl-2-[[5-(3-indolylidene)-4-[[(2R)-2-oxolanyl]methyl]-1H-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-butyl-2-[[5-indol-3-ylidene-4-[[(2R)-oxolan-2-yl]methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-butyl-2-[[5-indol-3-ylidene-4-[[(2R)-tetrahydrofuran-2-yl]methyl]-1H-1,2,4-triazol-3-yl]thio]acetamide Formula: C21H27N5O2S MolecularWeight: 413.53638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCNC(=O)CSC1=NNC(=C2C=NC3=CC=CC=C32)N1C[C@H]4CCCO4

InChI

InChI=1S/C21H27N5O2S/c1-2-3-10-22-19(27)14-29-21-25-24-20(26(21)13-15-7-6-11-28-15)17-12-23-18-9-5-4-8-16(17)18/h4-5,8-9,12,15,24H,2-3,6-7,10-11,13-14H2,1H3,(H,22,27)/t15-/m1/s1