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

Systemtic Name: 3-[2-[(4-azanyl-5-tert-butyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-N,N-diethyl-benzamide Openeye Name: 3-[[2-[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N,N-diethyl-benzamide CAS Name: 3-[[2-[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]-N,N-diethylbenzamide IUPAC Name: 3-[[2-[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N,N-diethylbenzamide Traditional Name: 3-[[2-[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)thio]acetyl]amino]-N,N-diethyl-benzamide Formula: C19H28N6O2S MolecularWeight: 404.52962

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2N)C(C)(C)C

Isomeric SMILES

CCN(CC)C(=O)C1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2N)C(C)(C)C

InChI

InChI=1S/C19H28N6O2S/c1-6-24(7-2)16(27)13-9-8-10-14(11-13)21-15(26)12-28-18-23-22-17(25(18)20)19(3,4)5/h8-11H,6-7,12,20H2,1-5H3,(H,21,26)