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

Systemtic Name: 3-methylsulfonyl-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]-3-methylsulfonyl-benzamide CAS Name: 3-methylsulfonyl-N-[4-[(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-2-thiazolyl]benzamide IUPAC Name: 3-methylsulfonyl-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]-3-mesyl-benzamide Formula: C17H17N5O3S3 MolecularWeight: 435.54358

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N5O3S3/c1-3-7-22-14(20-21-17(22)26)9-12-10-27-16(18-12)19-15(23)11-5-4-6-13(8-11)28(2,24)25/h3-6,8,10H,1,7,9H2,2H3,(H,21,26)(H,18,19,23)