5-chloranyl-N-[(2-naphthalen-1-ylbenzotriazol-5-yl)carbamothioyl]naphthalene-1-carboxamide

Systemtic Name: 5-chloranyl-N-[(2-naphthalen-1-ylbenzotriazol-5-yl)carbamothioyl]naphthalene-1-carboxamide Openeye Name: 5-chloro-N-[[2-(1-naphthyl)benzotriazol-5-yl]carbamothioyl]naphthalene-1-carboxamide CAS Name: 5-chloro-N-[[[2-(1-naphthalenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]-1-naphthalenecarboxamide IUPAC Name: 5-chloro-N-[(2-naphthalen-1-ylbenzotriazol-5-yl)carbamothioyl]naphthalene-1-carboxamide Traditional Name: 5-chloro-N-[[2-(1-naphthyl)benzotriazol-5-yl]thiocarbamoyl]-1-naphthamide Formula: C28H18ClN5OS MolecularWeight: 507.99342

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2N3N=C4C=CC(=CC4=N3)NC(=S)NC(=O)C5=CC=CC6=C5C=CC=C6Cl

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2N3N=C4C=CC(=CC4=N3)NC(=S)NC(=O)C5=CC=CC6=C5C=CC=C6Cl

InChI

InChI=1S/C28H18ClN5OS/c29-23-12-5-9-20-21(23)10-4-11-22(20)27(35)31-28(36)30-18-14-15-24-25(16-18)33-34(32-24)26-13-3-7-17-6-1-2-8-19(17)26/h1-16H,(H2,30,31,35,36)