4-butoxy-N-[3-[5-[2-(2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]phenyl]benzamide

Systemtic Name: 4-butoxy-N-[3-[5-[2-(2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]phenyl]benzamide Openeye Name: 4-butoxy-N-[3-[5-(2-indolin-1-yl-2-oxo-ethyl)sulfanyl-4-methyl-1,2,4-triazol-3-yl]phenyl]benzamide CAS Name: 4-butoxy-N-[3-[5-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]thio]-4-methyl-1,2,4-triazol-3-yl]phenyl]benzamide IUPAC Name: 4-butoxy-N-[3-[5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]phenyl]benzamide Traditional Name: 4-butoxy-N-[3-[5-[(2-indolin-1-yl-2-keto-ethyl)thio]-4-methyl-1,2,4-triazol-3-yl]phenyl]benzamide Formula: C30H31N5O3S MolecularWeight: 541.66384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C3=NN=C(N3C)SCC(=O)N4CCC5=CC=CC=C54

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C3=NN=C(N3C)SCC(=O)N4CCC5=CC=CC=C54

InChI

InChI=1S/C30H31N5O3S/c1-3-4-18-38-25-14-12-22(13-15-25)29(37)31-24-10-7-9-23(19-24)28-32-33-30(34(28)2)39-20-27(36)35-17-16-21-8-5-6-11-26(21)35/h5-15,19H,3-4,16-18,20H2,1-2H3,(H,31,37)