N-(1,3-benzothiazol-2-yl)-2-[[5-(3-bromanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-4-methyl-1H-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-2-[[5-(3-bromanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-4-methyl-1H-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-2-[[5-(3-bromo-6-oxo-cyclohexa-2,4-dien-1-ylidene)-4-methyl-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(1,3-benzothiazol-2-yl)-2-[[5-(3-bromo-6-oxo-1-cyclohexa-2,4-dienylidene)-4-methyl-1H-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-2-[[5-(3-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)-4-methyl-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(1,3-benzothiazol-2-yl)-2-[[5-(3-bromo-6-keto-cyclohexa-2,4-dien-1-ylidene)-4-methyl-1H-1,2,4-triazol-3-yl]thio]acetamide Formula: C18H14BrN5O2S2 MolecularWeight: 476.37006

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C2C=C(C=CC2=O)Br)NN=C1SCC(=O)NC3=NC4=CC=CC=C4S3

Isomeric SMILES

CN1C(=C2C=C(C=CC2=O)Br)NN=C1SCC(=O)NC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C18H14BrN5O2S2/c1-24-16(11-8-10(19)6-7-13(11)25)22-23-18(24)27-9-15(26)21-17-20-12-4-2-3-5-14(12)28-17/h2-8,22H,9H2,1H3,(H,20,21,26)