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

Systemtic Name: N-[(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)carbamothioyl]-3-(4-propan-2-ylphenyl)prop-2-enamide Openeye Name: 3-(4-isopropylphenyl)-N-[(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)carbamothioyl]prop-2-enamide CAS Name: N-[[[3-methyl-5-(methylthio)-1,2,4-triazol-4-yl]amino]-sulfanylidenemethyl]-3-(4-propan-2-ylphenyl)-2-propenamide IUPAC Name: N-[(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)carbamothioyl]-3-(4-propan-2-ylphenyl)prop-2-enamide Traditional Name: N-[[3-methyl-5-(methylthio)-1,2,4-triazol-4-yl]thiocarbamoyl]-3-p-cumenyl-acrylamide Formula: C17H21N5OS2 MolecularWeight: 375.51154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N5OS2/c1-11(2)14-8-5-13(6-9-14)7-10-15(23)18-16(24)21-22-12(3)19-20-17(22)25-4/h5-11H,1-4H3,(H2,18,21,23,24)