N-[[4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methylcarbamothioyl]thiophene-2-carboxamide

Systemtic Name: N-[[4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methylcarbamothioyl]thiophene-2-carboxamide Openeye Name: N-[[4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methylcarbamothioyl]thiophene-2-carboxamide CAS Name: N-[[[4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methylamino]-sulfanylidenemethyl]-2-thiophenecarboxamide IUPAC Name: N-[[4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methylcarbamothioyl]thiophene-2-carboxamide Traditional Name: N-[[4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)benzyl]thiocarbamoyl]thiophene-2-carboxamide Formula: C17H14N6OS3 MolecularWeight: 414.52766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C2N1N=C(S2)C3=CC=C(C=C3)CNC(=S)NC(=O)C4=CC=CS4

Isomeric SMILES

CC1=NN=C2N1N=C(S2)C3=CC=C(C=C3)CNC(=S)NC(=O)C4=CC=CS4

InChI

InChI=1S/C17H14N6OS3/c1-10-20-21-17-23(10)22-15(27-17)12-6-4-11(5-7-12)9-18-16(25)19-14(24)13-3-2-8-26-13/h2-8H,9H2,1H3,(H2,18,19,24,25)