N-[4-methyl-3-[2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]phenyl]cyclohexanecarboxamide

Systemtic Name: N-[4-methyl-3-[2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]phenyl]cyclohexanecarboxamide Openeye Name: N-[4-methyl-3-[[2-[[4-phenyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]phenyl]cyclohexanecarboxamide CAS Name: N-[4-methyl-3-[[1-oxo-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]ethyl]amino]phenyl]cyclohexanecarboxamide IUPAC Name: N-[4-methyl-3-[[2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]phenyl]cyclohexanecarboxamide Traditional Name: N-[4-methyl-3-[[2-[[4-phenyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]phenyl]cyclohexanecarboxamide Formula: C29H30N6O2S MolecularWeight: 526.6525

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2CCCCC2)NC(=O)CSC3=NN=C(N3C4=CC=CC=C4)C5=CC=NC=C5

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2CCCCC2)NC(=O)CSC3=NN=C(N3C4=CC=CC=C4)C5=CC=NC=C5

InChI

InChI=1S/C29H30N6O2S/c1-20-12-13-23(31-28(37)22-8-4-2-5-9-22)18-25(20)32-26(36)19-38-29-34-33-27(21-14-16-30-17-15-21)35(29)24-10-6-3-7-11-24/h3,6-7,10-18,22H,2,4-5,8-9,19H2,1H3,(H,31,37)(H,32,36)