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

Systemtic Name: N-[(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)carbamothioyl]-3-phenyl-prop-2-enamide Openeye Name: N-[(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)carbamothioyl]-3-phenyl-prop-2-enamide CAS Name: N-[[[3-methyl-5-(methylthio)-1,2,4-triazol-4-yl]amino]-sulfanylidenemethyl]-3-phenyl-2-propenamide IUPAC Name: N-[(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)carbamothioyl]-3-phenylprop-2-enamide Traditional Name: N-[[3-methyl-5-(methylthio)-1,2,4-triazol-4-yl]thiocarbamoyl]-3-phenyl-acrylamide Formula: C14H15N5OS2 MolecularWeight: 333.4318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1NC(=S)NC(=O)C=CC2=CC=CC=C2)SC

Isomeric SMILES

CC1=NN=C(N1NC(=S)NC(=O)C=CC2=CC=CC=C2)SC

InChI

InChI=1S/C14H15N5OS2/c1-10-16-17-14(22-2)19(10)18-13(21)15-12(20)9-8-11-6-4-3-5-7-11/h3-9H,1-2H3,(H2,15,18,20,21)