5-(3-chloranyl-4-methyl-phenyl)-N-[(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)carbamothioyl]furan-2-carboxamide

Systemtic Name: 5-(3-chloranyl-4-methyl-phenyl)-N-[(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)carbamothioyl]furan-2-carboxamide Openeye Name: 5-(3-chloro-4-methyl-phenyl)-N-[(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)carbamothioyl]furan-2-carboxamide CAS Name: 5-(3-chloro-4-methylphenyl)-N-[[[3-methyl-5-(methylthio)-1,2,4-triazol-4-yl]amino]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-(3-chloro-4-methylphenyl)-N-[(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)carbamothioyl]furan-2-carboxamide Traditional Name: 5-(3-chloro-4-methyl-phenyl)-N-[[3-methyl-5-(methylthio)-1,2,4-triazol-4-yl]thiocarbamoyl]-2-furamide Formula: C17H16ClN5O2S2 MolecularWeight: 421.92424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CC=C(O2)C(=O)NC(=S)NN3C(=NN=C3SC)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CC=C(O2)C(=O)NC(=S)NN3C(=NN=C3SC)C)Cl

InChI

InChI=1S/C17H16ClN5O2S2/c1-9-4-5-11(8-12(9)18)13-6-7-14(25-13)15(24)19-16(26)22-23-10(2)20-21-17(23)27-3/h4-8H,1-3H3,(H2,19,22,24,26)