3-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-N,N-diethyl-benzamide

Systemtic Name: 3-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-N,N-diethyl-benzamide Openeye Name: 3-[[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N,N-diethyl-benzamide CAS Name: 3-[[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]-N,N-diethylbenzamide IUPAC Name: 3-[[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N,N-diethylbenzamide Traditional Name: 3-[[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]acetyl]amino]-N,N-diethyl-benzamide Formula: C21H27N5O2S MolecularWeight: 413.53638

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2C3CC3)C4CC4

Isomeric SMILES

CCN(CC)C(=O)C1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2C3CC3)C4CC4

InChI

InChI=1S/C21H27N5O2S/c1-3-25(4-2)20(28)15-6-5-7-16(12-15)22-18(27)13-29-21-24-23-19(14-8-9-14)26(21)17-10-11-17/h5-7,12,14,17H,3-4,8-11,13H2,1-2H3,(H,22,27)