N-[[3-ethyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]carbamothioyl]-3-methoxy-naphthalene-2-carboxamide

Systemtic Name: N-[[3-ethyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]carbamothioyl]-3-methoxy-naphthalene-2-carboxamide Openeye Name: N-[(3-benzylsulfanyl-5-ethyl-1,2,4-triazol-4-yl)carbamothioyl]-3-methoxy-naphthalene-2-carboxamide CAS Name: N-[[[3-ethyl-5-(phenylmethylthio)-1,2,4-triazol-4-yl]amino]-sulfanylidenemethyl]-3-methoxy-2-naphthalenecarboxamide IUPAC Name: N-[(3-benzylsulfanyl-5-ethyl-1,2,4-triazol-4-yl)carbamothioyl]-3-methoxynaphthalene-2-carboxamide Traditional Name: N-[[3-(benzylthio)-5-ethyl-1,2,4-triazol-4-yl]thiocarbamoyl]-3-methoxy-2-naphthamide Formula: C24H23N5O2S2 MolecularWeight: 477.60172

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1NC(=S)NC(=O)C2=CC3=CC=CC=C3C=C2OC)SCC4=CC=CC=C4

Isomeric SMILES

CCC1=NN=C(N1NC(=S)NC(=O)C2=CC3=CC=CC=C3C=C2OC)SCC4=CC=CC=C4

InChI

InChI=1S/C24H23N5O2S2/c1-3-21-26-27-24(33-15-16-9-5-4-6-10-16)29(21)28-23(32)25-22(30)19-13-17-11-7-8-12-18(17)14-20(19)31-2/h4-14H,3,15H2,1-2H3,(H2,25,28,30,32)