N-[(6-chloranyl-2-phenyl-benzotriazol-5-yl)carbamothioyl]-3-methoxy-naphthalene-2-carboxamide

Systemtic Name: N-[(6-chloranyl-2-phenyl-benzotriazol-5-yl)carbamothioyl]-3-methoxy-naphthalene-2-carboxamide Openeye Name: N-[(6-chloro-2-phenyl-benzotriazol-5-yl)carbamothioyl]-3-methoxy-naphthalene-2-carboxamide CAS Name: N-[[(6-chloro-2-phenyl-5-benzotriazolyl)amino]-sulfanylidenemethyl]-3-methoxy-2-naphthalenecarboxamide IUPAC Name: N-[(6-chloro-2-phenylbenzotriazol-5-yl)carbamothioyl]-3-methoxynaphthalene-2-carboxamide Traditional Name: N-[(6-chloro-2-phenyl-benzotriazol-5-yl)thiocarbamoyl]-3-methoxy-2-naphthamide Formula: C25H18ClN5O2S MolecularWeight: 487.96072

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=CC=CC=C2C=C1C(=O)NC(=S)NC3=CC4=NN(N=C4C=C3Cl)C5=CC=CC=C5

Isomeric SMILES

COC1=CC2=CC=CC=C2C=C1C(=O)NC(=S)NC3=CC4=NN(N=C4C=C3Cl)C5=CC=CC=C5

InChI

InChI=1S/C25H18ClN5O2S/c1-33-23-12-16-8-6-5-7-15(16)11-18(23)24(32)28-25(34)27-20-14-22-21(13-19(20)26)29-31(30-22)17-9-3-2-4-10-17/h2-14H,1H3,(H2,27,28,32,34)