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

Systemtic Name: N-[(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)carbamothioyl]-3-(2-methylpropoxy)benzamide Openeye Name: N-[(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)carbamothioyl]-3-isobutoxy-benzamide CAS Name: N-[[[3-(ethylthio)-5-methyl-1,2,4-triazol-4-yl]amino]-sulfanylidenemethyl]-3-(2-methylpropoxy)benzamide IUPAC Name: N-[(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)carbamothioyl]-3-(2-methylpropoxy)benzamide Traditional Name: N-[[3-(ethylthio)-5-methyl-1,2,4-triazol-4-yl]thiocarbamoyl]-3-isobutoxy-benzamide Formula: C17H23N5O2S2 MolecularWeight: 393.52682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N5O2S2/c1-5-26-17-20-19-12(4)22(17)21-16(25)18-15(23)13-7-6-8-14(9-13)24-10-11(2)3/h6-9,11H,5,10H2,1-4H3,(H2,18,21,23,25)