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

Systemtic Name: N-[(6-methyl-2-naphthalen-1-yl-benzotriazol-5-yl)carbamothioyl]naphthalene-1-carboxamide Openeye Name: N-[[6-methyl-2-(1-naphthyl)benzotriazol-5-yl]carbamothioyl]naphthalene-1-carboxamide CAS Name: N-[[[6-methyl-2-(1-naphthalenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]-1-naphthalenecarboxamide IUPAC Name: N-[(6-methyl-2-naphthalen-1-ylbenzotriazol-5-yl)carbamothioyl]naphthalene-1-carboxamide Traditional Name: N-[[6-methyl-2-(1-naphthyl)benzotriazol-5-yl]thiocarbamoyl]-1-naphthamide Formula: C29H21N5OS MolecularWeight: 487.57494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NN(N=C2C=C1NC(=S)NC(=O)C3=CC=CC4=CC=CC=C43)C5=CC=CC6=CC=CC=C65

Isomeric SMILES

CC1=CC2=NN(N=C2C=C1NC(=S)NC(=O)C3=CC=CC4=CC=CC=C43)C5=CC=CC6=CC=CC=C65

InChI

InChI=1S/C29H21N5OS/c1-18-16-25-26(33-34(32-25)27-15-7-11-20-9-3-5-13-22(20)27)17-24(18)30-29(36)31-28(35)23-14-6-10-19-8-2-4-12-21(19)23/h2-17H,1H3,(H2,30,31,35,36)