N-tert-butyl-2-[2-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoyl-methyl-amino]ethanamide

Systemtic Name: N-tert-butyl-2-[2-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoyl-methyl-amino]ethanamide Openeye Name: N-tert-butyl-2-[[2-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]-methyl-amino]acetamide CAS Name: N-tert-butyl-2-[[2-[[4-cyclopropyl-5-(3-indolylidene)-1H-1,2,4-triazol-3-yl]thio]-1-oxoethyl]-methylamino]acetamide IUPAC Name: N-tert-butyl-2-[[2-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]-methylamino]acetamide Traditional Name: N-tert-butyl-2-[[2-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)thio]acetyl]-methyl-amino]acetamide Formula: C22H28N6O2S MolecularWeight: 440.56172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CN(C)C(=O)CSC1=NNC(=C2C=NC3=CC=CC=C32)N1C4CC4

Isomeric SMILES

CC(C)(C)NC(=O)CN(C)C(=O)CSC1=NNC(=C2C=NC3=CC=CC=C32)N1C4CC4

InChI

InChI=1S/C22H28N6O2S/c1-22(2,3)24-18(29)12-27(4)19(30)13-31-21-26-25-20(28(21)14-9-10-14)16-11-23-17-8-6-5-7-15(16)17/h5-8,11,14,25H,9-10,12-13H2,1-4H3,(H,24,29)