2-[4-[[5-azanylidene-3-oxidanylidene-4-(1,3-thiazol-2-yl)thiolan-2-ylidene]methyl]-2-bromanyl-6-methoxy-phenoxy]ethanenitrile

Systemtic Name: 2-[4-[[5-azanylidene-3-oxidanylidene-4-(1,3-thiazol-2-yl)thiolan-2-ylidene]methyl]-2-bromanyl-6-methoxy-phenoxy]ethanenitrile Openeye Name: 2-[2-bromo-4-[(5-imino-3-oxo-4-thiazol-2-yl-tetrahydrothiophen-2-ylidene)methyl]-6-methoxy-phenoxy]acetonitrile CAS Name: 2-[2-bromo-4-[[5-imino-3-oxo-4-(2-thiazolyl)-2-thiolanylidene]methyl]-6-methoxyphenoxy]acetonitrile IUPAC Name: 2-[2-bromo-4-[[5-imino-3-oxo-4-(1,3-thiazol-2-yl)thiolan-2-ylidene]methyl]-6-methoxyphenoxy]acetonitrile Traditional Name: 2-[2-bromo-4-[(5-imino-3-keto-4-thiazol-2-yl-tetrahydrothiophen-2-ylidene)methyl]-6-methoxy-phenoxy]acetonitrile Formula: C17H12BrN3O3S2 MolecularWeight: 450.32948

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C2C(=O)C(C(=N)S2)C3=NC=CS3)Br)OCC#N

Isomeric SMILES

COC1=C(C(=CC(=C1)C=C2C(=O)C(C(=N)S2)C3=NC=CS3)Br)OCC#N

InChI

InChI=1S/C17H12BrN3O3S2/c1-23-11-7-9(6-10(18)15(11)24-4-2-19)8-12-14(22)13(16(20)26-12)17-21-3-5-25-17/h3,5-8,13,20H,4H2,1H3