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

Systemtic Name: 3-methoxy-N-[(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)carbamothioyl]naphthalene-2-carboxamide Openeye Name: 3-methoxy-N-[(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)carbamothioyl]naphthalene-2-carboxamide CAS Name: 3-methoxy-N-[[[3-methyl-5-(methylthio)-1,2,4-triazol-4-yl]amino]-sulfanylidenemethyl]-2-naphthalenecarboxamide IUPAC Name: 3-methoxy-N-[(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)carbamothioyl]naphthalene-2-carboxamide Traditional Name: 3-methoxy-N-[[3-methyl-5-(methylthio)-1,2,4-triazol-4-yl]thiocarbamoyl]-2-naphthamide Formula: C17H17N5O2S2 MolecularWeight: 387.47918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N5O2S2/c1-10-19-20-17(26-3)22(10)21-16(25)18-15(23)13-8-11-6-4-5-7-12(11)9-14(13)24-2/h4-9H,1-3H3,(H2,18,21,23,25)