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

Systemtic Name: 3-methoxy-N-[[3-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]carbamothioyl]naphthalene-2-carboxamide Openeye Name: N-[(3-benzylsulfanyl-5-methyl-1,2,4-triazol-4-yl)carbamothioyl]-3-methoxy-naphthalene-2-carboxamide CAS Name: 3-methoxy-N-[[[3-methyl-5-(phenylmethylthio)-1,2,4-triazol-4-yl]amino]-sulfanylidenemethyl]-2-naphthalenecarboxamide IUPAC Name: N-[(3-benzylsulfanyl-5-methyl-1,2,4-triazol-4-yl)carbamothioyl]-3-methoxynaphthalene-2-carboxamide Traditional Name: N-[[3-(benzylthio)-5-methyl-1,2,4-triazol-4-yl]thiocarbamoyl]-3-methoxy-2-naphthamide Formula: C23H21N5O2S2 MolecularWeight: 463.57514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1NC(=S)NC(=O)C2=CC3=CC=CC=C3C=C2OC)SCC4=CC=CC=C4

Isomeric SMILES

CC1=NN=C(N1NC(=S)NC(=O)C2=CC3=CC=CC=C3C=C2OC)SCC4=CC=CC=C4

InChI

InChI=1S/C23H21N5O2S2/c1-15-25-26-23(32-14-16-8-4-3-5-9-16)28(15)27-22(31)24-21(29)19-12-17-10-6-7-11-18(17)13-20(19)30-2/h3-13H,14H2,1-2H3,(H2,24,27,29,31)