N-phenethyl-N-(phenylmethyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-phenethyl-N-(phenylmethyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: 2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-benzyl-N-phenethyl-acetamide CAS Name: N-phenethyl-N-(phenylmethyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-benzyl-N-phenethyl-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N-benzyl-N-phenethyl-acetamide Formula: C27H27N5OS MolecularWeight: 469.60118

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)N(CCC2=CC=CC=C2)CC3=CC=CC=C3)C4=CC=NC=C4

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)N(CCC2=CC=CC=C2)CC3=CC=CC=C3)C4=CC=NC=C4

InChI

InChI=1S/C27H27N5OS/c1-2-18-32-26(24-13-16-28-17-14-24)29-30-27(32)34-21-25(33)31(20-23-11-7-4-8-12-23)19-15-22-9-5-3-6-10-22/h2-14,16-17H,1,15,18-21H2