N-[(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)carbamothioyl]-4-phenyl-benzamide

Systemtic Name: N-[(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)carbamothioyl]-4-phenyl-benzamide Openeye Name: N-[(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)carbamothioyl]-4-phenyl-benzamide CAS Name: N-[[[3-(ethylthio)-5-methyl-1,2,4-triazol-4-yl]amino]-sulfanylidenemethyl]-4-phenylbenzamide IUPAC Name: N-[(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)carbamothioyl]-4-phenylbenzamide Traditional Name: N-[[3-(ethylthio)-5-methyl-1,2,4-triazol-4-yl]thiocarbamoyl]-4-phenyl-benzamide Formula: C19H19N5OS2 MolecularWeight: 397.51706

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(N1NC(=S)NC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)C

Isomeric SMILES

CCSC1=NN=C(N1NC(=S)NC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)C

InChI

InChI=1S/C19H19N5OS2/c1-3-27-19-22-21-13(2)24(19)23-18(26)20-17(25)16-11-9-15(10-12-16)14-7-5-4-6-8-14/h4-12H,3H2,1-2H3,(H2,20,23,25,26)