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

Systemtic Name: N-ethyl-3-[2-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzamide Openeye Name: N-ethyl-3-[[2-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide CAS Name: N-ethyl-3-[[1-oxo-2-[[4-phenyl-5-(1-pyrrolidinylmethyl)-1,2,4-triazol-3-yl]thio]ethyl]amino]benzamide IUPAC Name: N-ethyl-3-[[2-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide Traditional Name: N-ethyl-3-[[2-[[4-phenyl-5-(pyrrolidinomethyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]benzamide Formula: C24H28N6O2S MolecularWeight: 464.58312

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)CN4CCCC4

Isomeric SMILES

CCNC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)CN4CCCC4

InChI

InChI=1S/C24H28N6O2S/c1-2-25-23(32)18-9-8-10-19(15-18)26-22(31)17-33-24-28-27-21(16-29-13-6-7-14-29)30(24)20-11-4-3-5-12-20/h3-5,8-12,15H,2,6-7,13-14,16-17H2,1H3,(H,25,32)(H,26,31)