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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)C)C3=NNC(=S)N3CC=C

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)C)C3=NNC(=S)N3CC=C

InChI

InChI=1S/C17H17N5O3S3/c1-4-9-22-14(20-21-17(22)26)13-10(2)18-16(27-13)19-15(23)11-5-7-12(8-6-11)28(3,24)25/h4-8H,1,9H2,2-3H3,(H,21,26)(H,18,19,23)