N-cyclopropyl-4-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzamide

Systemtic Name: N-cyclopropyl-4-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzamide Openeye Name: 4-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-N-cyclopropyl-benzamide CAS Name: N-cyclopropyl-4-[[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]methyl]benzamide IUPAC Name: N-cyclopropyl-4-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzamide Traditional Name: 4-[[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]-N-cyclopropyl-benzamide Formula: C21H21N5OS MolecularWeight: 391.48934

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC2=CC=C(C=C2)C(=O)NC3CC3)C4=CC=NC=C4

Isomeric SMILES

C=CCN1C(=NN=C1SCC2=CC=C(C=C2)C(=O)NC3CC3)C4=CC=NC=C4

InChI

InChI=1S/C21H21N5OS/c1-2-13-26-19(16-9-11-22-12-10-16)24-25-21(26)28-14-15-3-5-17(6-4-15)20(27)23-18-7-8-18/h2-6,9-12,18H,1,7-8,13-14H2,(H,23,27)