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

Systemtic Name: 3-[2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-N-cyclopropyl-benzamide Openeye Name: 3-[[2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-cyclopropyl-benzamide CAS Name: 3-[[2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]-N-cyclopropylbenzamide IUPAC Name: 3-[[2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-cyclopropylbenzamide Traditional Name: 3-[[2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)thio]acetyl]amino]-N-cyclopropyl-benzamide Formula: C18H23N5O2S MolecularWeight: 373.47252

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC(=NN1)SCC(=O)NC2=CC=CC(=C2)C(=O)NC3CC3

Isomeric SMILES

CC(C)(C)C1=NC(=NN1)SCC(=O)NC2=CC=CC(=C2)C(=O)NC3CC3

InChI

InChI=1S/C18H23N5O2S/c1-18(2,3)16-21-17(23-22-16)26-10-14(24)19-13-6-4-5-11(9-13)15(25)20-12-7-8-12/h4-6,9,12H,7-8,10H2,1-3H3,(H,19,24)(H,20,25)(H,21,22,23)