N-[4-[2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]phenyl]butanamide

Systemtic Name: N-[4-[2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]phenyl]butanamide Openeye Name: N-[4-[2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]phenyl]butanamide CAS Name: N-[4-[1-oxo-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]ethyl]phenyl]butanamide IUPAC Name: N-[4-[2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]phenyl]butanamide Traditional Name: N-[4-[2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetyl]phenyl]butyramide Formula: C22H23N5O2S MolecularWeight: 421.51532

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2CC=C)C3=CC=NC=C3

Isomeric SMILES

CCCC(=O)NC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2CC=C)C3=CC=NC=C3

InChI

InChI=1S/C22H23N5O2S/c1-3-5-20(29)24-18-8-6-16(7-9-18)19(28)15-30-22-26-25-21(27(22)14-4-2)17-10-12-23-13-11-17/h4,6-13H,2-3,5,14-15H2,1H3,(H,24,29)