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

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-(4-oxidanylidenequinazolin-3-yl)butanamide Openeye Name: N-[5-(4-allyl-5-thioxo-1H-1,2,4-triazol-3-yl)-4-methyl-thiazol-2-yl]-4-(4-oxoquinazolin-3-yl)butanamide CAS Name: N-[4-methyl-5-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-2-thiazolyl]-4-(4-oxo-3-quinazolinyl)butanamide 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-(4-oxoquinazolin-3-yl)butanamide Traditional Name: N-[5-(4-allyl-5-thioxo-1H-1,2,4-triazol-3-yl)-4-methyl-thiazol-2-yl]-4-(4-ketoquinazolin-3-yl)butyramide Formula: C21H21N7O2S2 MolecularWeight: 467.56714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)CCCN2C=NC3=CC=CC=C3C2=O)C4=NNC(=S)N4CC=C

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)CCCN2C=NC3=CC=CC=C3C2=O)C4=NNC(=S)N4CC=C

InChI

InChI=1S/C21H21N7O2S2/c1-3-10-28-18(25-26-21(28)31)17-13(2)23-20(32-17)24-16(29)9-6-11-27-12-22-15-8-5-4-7-14(15)19(27)30/h3-5,7-8,12H,1,6,9-11H2,2H3,(H,26,31)(H,23,24,29)