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

Systemtic Name: 3-phenyl-N-[4-[(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-1,3-thiazol-2-yl]-2,1-benzoxazole-5-carboxamide Openeye Name: N-[4-[(4-allyl-5-thioxo-1H-1,2,4-triazol-3-yl)methyl]thiazol-2-yl]-3-phenyl-2,1-benzoxazole-5-carboxamide CAS Name: 3-phenyl-N-[4-[(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-2-thiazolyl]-2,1-benzoxazole-5-carboxamide IUPAC Name: 3-phenyl-N-[4-[(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-1,3-thiazol-2-yl]-2,1-benzoxazole-5-carboxamide Traditional Name: N-[4-[(4-allyl-5-thioxo-1H-1,2,4-triazol-3-yl)methyl]thiazol-2-yl]-3-phenyl-anthranil-5-carboxamide Formula: C23H18N6O2S2 MolecularWeight: 474.55802

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NNC1=S)CC2=CSC(=N2)NC(=O)C3=CC4=C(ON=C4C=C3)C5=CC=CC=C5

Isomeric SMILES

C=CCN1C(=NNC1=S)CC2=CSC(=N2)NC(=O)C3=CC4=C(ON=C4C=C3)C5=CC=CC=C5

InChI

InChI=1S/C23H18N6O2S2/c1-2-10-29-19(26-27-23(29)32)12-16-13-33-22(24-16)25-21(30)15-8-9-18-17(11-15)20(31-28-18)14-6-4-3-5-7-14/h2-9,11,13H,1,10,12H2,(H,27,32)(H,24,25,30)