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

Systemtic Name: N-[(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)carbamothioyl]-4-phenyl-benzamide Openeye Name: N-[(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)carbamothioyl]-4-phenyl-benzamide CAS Name: N-[[[3-methyl-5-(methylthio)-1,2,4-triazol-4-yl]amino]-sulfanylidenemethyl]-4-phenylbenzamide IUPAC Name: N-[(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)carbamothioyl]-4-phenylbenzamide Traditional Name: N-[[3-methyl-5-(methylthio)-1,2,4-triazol-4-yl]thiocarbamoyl]-4-phenyl-benzamide Formula: C18H17N5OS2 MolecularWeight: 383.49048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1NC(=S)NC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)SC

Isomeric SMILES

CC1=NN=C(N1NC(=S)NC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)SC

InChI

InChI=1S/C18H17N5OS2/c1-12-20-21-18(26-2)23(12)22-17(25)19-16(24)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-11H,1-2H3,(H2,19,22,24,25)