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

Systemtic Name: 4-bromanyl-N-[(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)carbamothioyl]-3-methoxy-naphthalene-2-carboxamide Openeye Name: 4-bromo-N-[(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)carbamothioyl]-3-methoxy-naphthalene-2-carboxamide CAS Name: 4-bromo-N-[[[3-(ethylthio)-5-methyl-1,2,4-triazol-4-yl]amino]-sulfanylidenemethyl]-3-methoxy-2-naphthalenecarboxamide IUPAC Name: 4-bromo-N-[(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)carbamothioyl]-3-methoxynaphthalene-2-carboxamide Traditional Name: 4-bromo-N-[[3-(ethylthio)-5-methyl-1,2,4-triazol-4-yl]thiocarbamoyl]-3-methoxy-2-naphthamide Formula: C18H18BrN5O2S2 MolecularWeight: 480.40182

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(N1NC(=S)NC(=O)C2=CC3=CC=CC=C3C(=C2OC)Br)C

Isomeric SMILES

CCSC1=NN=C(N1NC(=S)NC(=O)C2=CC3=CC=CC=C3C(=C2OC)Br)C

InChI

InChI=1S/C18H18BrN5O2S2/c1-4-28-18-22-21-10(2)24(18)23-17(27)20-16(25)13-9-11-7-5-6-8-12(11)14(19)15(13)26-3/h5-9H,4H2,1-3H3,(H2,20,23,25,27)