N-(1-phenylethyl)-2-[2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzamide

Systemtic Name: N-(1-phenylethyl)-2-[2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzamide Openeye Name: 2-[[2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-(1-phenylethyl)benzamide CAS Name: 2-[[1-oxo-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]ethyl]amino]-N-(1-phenylethyl)benzamide IUPAC Name: N-(1-phenylethyl)-2-[[2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide Traditional Name: 2-[[2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)thio]acetyl]amino]-N-(1-phenylethyl)benzamide Formula: C28H27N5O2S MolecularWeight: 497.61128

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)C2=CC=CC=C2NC(=O)CSC3=NN=C(N3CC=C)C4=CC=CC=C4

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=O)C2=CC=CC=C2NC(=O)CSC3=NN=C(N3CC=C)C4=CC=CC=C4

InChI

InChI=1S/C28H27N5O2S/c1-3-18-33-26(22-14-8-5-9-15-22)31-32-28(33)36-19-25(34)30-24-17-11-10-16-23(24)27(35)29-20(2)21-12-6-4-7-13-21/h3-17,20H,1,18-19H2,2H3,(H,29,35)(H,30,34)