4-[4-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-3H-1,3-thiazol-2-ylidene]-2-bromanyl-6-ethoxy-cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[4-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-3H-1,3-thiazol-2-ylidene]-2-bromanyl-6-ethoxy-cyclohexa-2,5-dien-1-one Openeye Name: 4-[4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-3H-thiazol-2-ylidene]-2-bromo-6-ethoxy-cyclohexa-2,5-dien-1-one CAS Name: 4-[4-[[(5-amino-1,3,4-thiadiazol-2-yl)thio]methyl]-3H-thiazol-2-ylidene]-2-bromo-6-ethoxy-1-cyclohexa-2,5-dienone IUPAC Name: 4-[4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-3H-1,3-thiazol-2-ylidene]-2-bromo-6-ethoxycyclohexa-2,5-dien-1-one Traditional Name: 4-[4-[[(5-amino-1,3,4-thiadiazol-2-yl)thio]methyl]-4-thiazolin-2-ylidene]-2-bromo-6-ethoxy-cyclohexa-2,5-dien-1-one Formula: C14H13BrN4O2S3 MolecularWeight: 445.37762

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C2NC(=CS2)CSC3=NN=C(S3)N)C=C(C1=O)Br

Isomeric SMILES

CCOC1=CC(=C2NC(=CS2)CSC3=NN=C(S3)N)C=C(C1=O)Br

InChI

InChI=1S/C14H13BrN4O2S3/c1-2-21-10-4-7(3-9(15)11(10)20)12-17-8(5-22-12)6-23-14-19-18-13(16)24-14/h3-5,17H,2,6H2,1H3,(H2,16,18)