N-[4-methyl-5-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-4-phenyl-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-phenyl-benzamide Openeye Name: N-[5-(4-allyl-5-thioxo-1H-1,2,4-triazol-3-yl)-4-methyl-thiazol-2-yl]-4-phenyl-benzamide CAS Name: N-[4-methyl-5-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-2-thiazolyl]-4-phenylbenzamide 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-phenylbenzamide Traditional Name: N-[5-(4-allyl-5-thioxo-1H-1,2,4-triazol-3-yl)-4-methyl-thiazol-2-yl]-4-phenyl-benzamide Formula: C22H19N5OS2 MolecularWeight: 433.54916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)C4=NNC(=S)N4CC=C

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)C4=NNC(=S)N4CC=C

InChI

InChI=1S/C22H19N5OS2/c1-3-13-27-19(25-26-22(27)29)18-14(2)23-21(30-18)24-20(28)17-11-9-16(10-12-17)15-7-5-4-6-8-15/h3-12H,1,13H2,2H3,(H,26,29)(H,23,24,28)