(2Z)-4-(3-hexyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-3-oxidanylidene-2-[oxidanyl-[(phenylmethyl)amino]methylidene]butanenitrile

Systemtic Name: (2Z)-4-(3-hexyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-3-oxidanylidene-2-[oxidanyl-[(phenylmethyl)amino]methylidene]butanenitrile Openeye Name: (2Z)-2-[(benzylamino)-hydroxy-methylene]-4-(3-hexyl-4-oxo-quinazolin-2-yl)sulfanyl-3-oxo-butanenitrile CAS Name: (2Z)-4-[(3-hexyl-4-oxo-2-quinazolinyl)thio]-2-[hydroxy-[(phenylmethyl)amino]methylidene]-3-oxobutanenitrile IUPAC Name: (2Z)-2-[(benzylamino)-hydroxymethylidene]-4-(3-hexyl-4-oxoquinazolin-2-yl)sulfanyl-3-oxobutanenitrile Traditional Name: (Z)-3-(benzylamino)-2-[2-[(3-hexyl-4-keto-quinazolin-2-yl)thio]acetyl]-3-hydroxy-acrylonitrile Formula: C26H28N4O3S MolecularWeight: 476.59052

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)C(=C(NCC3=CC=CC=C3)O)C#N

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)/C(=C(/NCC3=CC=CC=C3)\O)/C#N

InChI

InChI=1S/C26H28N4O3S/c1-2-3-4-10-15-30-25(33)20-13-8-9-14-22(20)29-26(30)34-18-23(31)21(16-27)24(32)28-17-19-11-6-5-7-12-19/h5-9,11-14,28,32H,2-4,10,15,17-18H2,1H3/b24-21-