4-butyl-N-[4-[(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-1,3-thiazol-2-yl]benzamide

Systemtic Name: 4-butyl-N-[4-[(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-1,3-thiazol-2-yl]benzamide Openeye Name: N-[4-[(4-allyl-5-thioxo-1H-1,2,4-triazol-3-yl)methyl]thiazol-2-yl]-4-butyl-benzamide CAS Name: 4-butyl-N-[4-[(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-2-thiazolyl]benzamide IUPAC Name: 4-butyl-N-[4-[(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-1,3-thiazol-2-yl]benzamide Traditional Name: N-[4-[(4-allyl-5-thioxo-1H-1,2,4-triazol-3-yl)methyl]thiazol-2-yl]-4-butyl-benzamide Formula: C20H23N5OS2 MolecularWeight: 413.55952

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)NC2=NC(=CS2)CC3=NNC(=S)N3CC=C

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)NC2=NC(=CS2)CC3=NNC(=S)N3CC=C

InChI

InChI=1S/C20H23N5OS2/c1-3-5-6-14-7-9-15(10-8-14)18(26)22-19-21-16(13-28-19)12-17-23-24-20(27)25(17)11-4-2/h4,7-10,13H,2-3,5-6,11-12H2,1H3,(H,24,27)(H,21,22,26)