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

Systemtic Name: N-[(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)carbamothioyl]-3-(4-propan-2-ylphenyl)prop-2-enamide Openeye Name: N-[(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)carbamothioyl]-3-(4-isopropylphenyl)prop-2-enamide CAS Name: N-[[[3-(ethylthio)-5-methyl-1,2,4-triazol-4-yl]amino]-sulfanylidenemethyl]-3-(4-propan-2-ylphenyl)-2-propenamide IUPAC Name: N-[(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)carbamothioyl]-3-(4-propan-2-ylphenyl)prop-2-enamide Traditional Name: N-[[3-(ethylthio)-5-methyl-1,2,4-triazol-4-yl]thiocarbamoyl]-3-p-cumenyl-acrylamide Formula: C18H23N5OS2 MolecularWeight: 389.53812

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(N1NC(=S)NC(=O)C=CC2=CC=C(C=C2)C(C)C)C

Isomeric SMILES

CCSC1=NN=C(N1NC(=S)NC(=O)C=CC2=CC=C(C=C2)C(C)C)C

InChI

InChI=1S/C18H23N5OS2/c1-5-26-18-21-20-13(4)23(18)22-17(25)19-16(24)11-8-14-6-9-15(10-7-14)12(2)3/h6-12H,5H2,1-4H3,(H2,19,22,24,25)