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

Systemtic Name: N-[(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)carbamothioyl]-3-(furan-2-yl)prop-2-enamide Openeye Name: N-[(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)carbamothioyl]-3-(2-furyl)prop-2-enamide CAS Name: N-[[[3-(ethylthio)-5-methyl-1,2,4-triazol-4-yl]amino]-sulfanylidenemethyl]-3-(2-furanyl)-2-propenamide IUPAC Name: N-[(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)carbamothioyl]-3-(furan-2-yl)prop-2-enamide Traditional Name: N-[[3-(ethylthio)-5-methyl-1,2,4-triazol-4-yl]thiocarbamoyl]-3-(2-furyl)acrylamide Formula: C13H15N5O2S2 MolecularWeight: 337.4205

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(N1NC(=S)NC(=O)C=CC2=CC=CO2)C

Isomeric SMILES

CCSC1=NN=C(N1NC(=S)NC(=O)C=CC2=CC=CO2)C

InChI

InChI=1S/C13H15N5O2S2/c1-3-22-13-16-15-9(2)18(13)17-12(21)14-11(19)7-6-10-5-4-8-20-10/h4-8H,3H2,1-2H3,(H2,14,17,19,21)