[4-(3-methylbutyl)-5-sulfanylidene-1,2,4-triazol-3-ylidene]-(2-phenylquinolin-4-yl)methanolate

Systemtic Name: [4-(3-methylbutyl)-5-sulfanylidene-1,2,4-triazol-3-ylidene]-(2-phenylquinolin-4-yl)methanolate Openeye Name: (4-isopentyl-5-thioxo-1,2,4-triazol-3-ylidene)-(2-phenyl-4-quinolyl)methanolate CAS Name: [4-(3-methylbutyl)-5-sulfanylidene-1,2,4-triazol-3-ylidene]-(2-phenyl-4-quinolinyl)methanolate IUPAC Name: [4-(3-methylbutyl)-5-sulfanylidene-1,2,4-triazol-3-ylidene]-(2-phenylquinolin-4-yl)methanolate Traditional Name: (4-isoamyl-5-thioxo-1,2,4-triazol-3-ylidene)-(2-phenyl-4-quinolyl)methanolate Formula: C23H21N4OS- MolecularWeight: 401.50404

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=C(C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4)[O-])N=NC1=S

Isomeric SMILES

CC(C)CCN1C(=C(C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4)[O-])N=NC1=S

InChI

InChI=1S/C23H22N4OS/c1-15(2)12-13-27-22(25-26-23(27)29)21(28)18-14-20(16-8-4-3-5-9-16)24-19-11-7-6-10-17(18)19/h3-11,14-15,28H,12-13H2,1-2H3/p-1