6-[(E)-(2-azanyl-4-oxidanylidene-1,3-thiazol-5-ylidene)methyl]-4-(3-oxidanylpropylsulfanyl)quinoline-3-carbonitrile

Systemtic Name: 6-[(E)-(2-azanyl-4-oxidanylidene-1,3-thiazol-5-ylidene)methyl]-4-(3-oxidanylpropylsulfanyl)quinoline-3-carbonitrile Openeye Name: 6-[(E)-(2-amino-4-oxo-thiazol-5-ylidene)methyl]-4-(3-hydroxypropylsulfanyl)quinoline-3-carbonitrile CAS Name: 6-[(E)-(2-amino-4-oxo-5-thiazolylidene)methyl]-4-(3-hydroxypropylthio)-3-quinolinecarbonitrile IUPAC Name: 6-[(E)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]-4-(3-hydroxypropylsulfanyl)quinoline-3-carbonitrile Traditional Name: 6-[(E)-(2-amino-4-keto-2-thiazolin-5-ylidene)methyl]-4-(3-hydroxypropylthio)quinoline-3-carbonitrile Formula: C17H14N4O2S2 MolecularWeight: 370.44866

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=NC=C(C(=C2C=C1C=C3C(=O)N=C(S3)N)SCCCO)C#N

Isomeric SMILES

C1=CC2=NC=C(C(=C2C=C1/C=C/3\C(=O)N=C(S3)N)SCCCO)C#N

InChI

InChI=1S/C17H14N4O2S2/c18-8-11-9-20-13-3-2-10(7-14-16(23)21-17(19)25-14)6-12(13)15(11)24-5-1-4-22/h2-3,6-7,9,22H,1,4-5H2,(H2,19,21,23)/b14-7+