5-bromanyl-N-[[2-(4-methoxyphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]naphthalene-1-carboxamide

Systemtic Name: 5-bromanyl-N-[[2-(4-methoxyphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]naphthalene-1-carboxamide Openeye Name: 5-bromo-N-[[2-(4-methoxyphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]naphthalene-1-carboxamide CAS Name: 5-bromo-N-[[[2-(4-methoxyphenyl)-6-methyl-5-benzotriazolyl]amino]-sulfanylidenemethyl]-1-naphthalenecarboxamide IUPAC Name: 5-bromo-N-[[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]naphthalene-1-carboxamide Traditional Name: 5-bromo-N-[[2-(4-methoxyphenyl)-6-methyl-benzotriazol-5-yl]thiocarbamoyl]-1-naphthamide Formula: C26H20BrN5O2S MolecularWeight: 546.4383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NN(N=C2C=C1NC(=S)NC(=O)C3=CC=CC4=C3C=CC=C4Br)C5=CC=C(C=C5)OC

Isomeric SMILES

CC1=CC2=NN(N=C2C=C1NC(=S)NC(=O)C3=CC=CC4=C3C=CC=C4Br)C5=CC=C(C=C5)OC

InChI

InChI=1S/C26H20BrN5O2S/c1-15-13-23-24(31-32(30-23)16-9-11-17(34-2)12-10-16)14-22(15)28-26(35)29-25(33)20-7-3-6-19-18(20)5-4-8-21(19)27/h3-14H,1-2H3,(H2,28,29,33,35)