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

Systemtic Name: N-cyclopropyl-3-[2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzamide Openeye Name: N-cyclopropyl-3-[[2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide CAS Name: N-cyclopropyl-3-[[2-[[4-cyclopropyl-5-(1-pyrrolidinyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]benzamide IUPAC Name: N-cyclopropyl-3-[[2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide Traditional Name: N-cyclopropyl-3-[[2-[(4-cyclopropyl-5-pyrrolidino-1,2,4-triazol-3-yl)thio]acetyl]amino]benzamide Formula: C21H26N6O2S MolecularWeight: 426.53514

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NN=C(N2C3CC3)SCC(=O)NC4=CC=CC(=C4)C(=O)NC5CC5

Isomeric SMILES

C1CCN(C1)C2=NN=C(N2C3CC3)SCC(=O)NC4=CC=CC(=C4)C(=O)NC5CC5

InChI

InChI=1S/C21H26N6O2S/c28-18(22-16-5-3-4-14(12-16)19(29)23-15-6-7-15)13-30-21-25-24-20(26-10-1-2-11-26)27(21)17-8-9-17/h3-5,12,15,17H,1-2,6-11,13H2,(H,22,28)(H,23,29)