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

Systemtic Name: N-[(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)carbamothioyl]-3-methoxy-benzamide Openeye Name: N-[(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)carbamothioyl]-3-methoxy-benzamide CAS Name: N-[[[3-(ethylthio)-5-methyl-1,2,4-triazol-4-yl]amino]-sulfanylidenemethyl]-3-methoxybenzamide IUPAC Name: N-[(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)carbamothioyl]-3-methoxybenzamide Traditional Name: N-[[3-(ethylthio)-5-methyl-1,2,4-triazol-4-yl]thiocarbamoyl]-3-methoxy-benzamide Formula: C14H17N5O2S2 MolecularWeight: 351.44708

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N5O2S2/c1-4-23-14-17-16-9(2)19(14)18-13(22)15-12(20)10-6-5-7-11(8-10)21-3/h5-8H,4H2,1-3H3,(H2,15,18,20,22)