6-[(Z)-(2-azanyl-4-oxidanylidene-1,3-thiazol-5-ylidene)methyl]-4-propan-2-ylsulfanyl-quinoline-3-carbonitrile; methanesulfonic acid

Systemtic Name: 6-[(Z)-(2-azanyl-4-oxidanylidene-1,3-thiazol-5-ylidene)methyl]-4-propan-2-ylsulfanyl-quinoline-3-carbonitrile; methanesulfonic acid Openeye Name: 6-[(Z)-(2-amino-4-oxo-thiazol-5-ylidene)methyl]-4-isopropylsulfanyl-quinoline-3-carbonitrile; methanesulfonic acid CAS Name: 6-[(Z)-(2-amino-4-oxo-5-thiazolylidene)methyl]-4-(propan-2-ylthio)-3-quinolinecarbonitrile; methanesulfonic acid IUPAC Name: 6-[(Z)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]-4-propan-2-ylsulfanylquinoline-3-carbonitrile; methanesulfonic acid Traditional Name: 6-[(Z)-(2-amino-4-keto-2-thiazolin-5-ylidene)methyl]-4-(isopropylthio)quinoline-3-carbonitrile; mesylic acid Formula: C18H18N4O4S3 MolecularWeight: 450.55492

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=C2C=C(C=CC2=NC=C1C#N)C=C3C(=O)N=C(S3)N.CS(=O)(=O)O

Isomeric SMILES

CC(C)SC1=C2C=C(C=CC2=NC=C1C#N)/C=C\3/C(=O)N=C(S3)N.CS(=O)(=O)O

InChI

InChI=1S/C17H14N4OS2.CH4O3S/c1-9(2)23-15-11(7-18)8-20-13-4-3-10(5-12(13)15)6-14-16(22)21-17(19)24-14;1-5(2,3)4/h3-6,8-9H,1-2H3,(H2,19,21,22);1H3,(H,2,3,4)/b14-6-;