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

Systemtic Name: 4-[2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-N,N-diethyl-benzamide Openeye Name: 4-[[2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N,N-diethyl-benzamide CAS Name: 4-[[2-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]-N,N-diethylbenzamide IUPAC Name: 4-[[2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N,N-diethylbenzamide Traditional Name: 4-[[2-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]acetyl]amino]-N,N-diethyl-benzamide Formula: C27H27N5O2S MolecularWeight: 485.60058

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCN(CC)C(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H27N5O2S/c1-3-31(4-2)26(34)21-15-17-22(18-16-21)28-24(33)19-35-27-30-29-25(20-11-7-5-8-12-20)32(27)23-13-9-6-10-14-23/h5-18H,3-4,19H2,1-2H3,(H,28,33)