N-(4-ethoxyphenyl)-3-[[5-(phenylmethyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide

Systemtic Name: N-(4-ethoxyphenyl)-3-[[5-(phenylmethyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: 3-[(5-benzyl-4-isopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-ethoxyphenyl)propanamide CAS Name: N-(4-ethoxyphenyl)-3-[[5-(phenylmethyl)-4-propan-2-yl-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: 3-[(5-benzyl-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-ethoxyphenyl)propanamide Traditional Name: 3-[(5-benzyl-4-isopropyl-1,2,4-triazol-3-yl)thio]-N-p-phenetyl-propionamide Formula: C23H28N4O2S MolecularWeight: 424.55902

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)CCSC2=NN=C(N2C(C)C)CC3=CC=CC=C3

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)CCSC2=NN=C(N2C(C)C)CC3=CC=CC=C3

InChI

InChI=1S/C23H28N4O2S/c1-4-29-20-12-10-19(11-13-20)24-22(28)14-15-30-23-26-25-21(27(23)17(2)3)16-18-8-6-5-7-9-18/h5-13,17H,4,14-16H2,1-3H3,(H,24,28)