N-(4-butan-2-ylphenyl)-4-(1,2,4-triazol-1-ylmethyl)-1,2,3-thiadiazole-5-carboxamide

Systemtic Name: N-(4-butan-2-ylphenyl)-4-(1,2,4-triazol-1-ylmethyl)-1,2,3-thiadiazole-5-carboxamide Openeye Name: N-(4-sec-butylphenyl)-4-(1,2,4-triazol-1-ylmethyl)thiadiazole-5-carboxamide CAS Name: N-(4-butan-2-ylphenyl)-4-(1,2,4-triazol-1-ylmethyl)-5-thiadiazolecarboxamide IUPAC Name: N-(4-butan-2-ylphenyl)-4-(1,2,4-triazol-1-ylmethyl)thiadiazole-5-carboxamide Traditional Name: N-(4-sec-butylphenyl)-4-(1,2,4-triazol-1-ylmethyl)thiadiazole-5-carboxamide Formula: C16H18N6OS MolecularWeight: 342.41872

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)NC(=O)C2=C(N=NS2)CN3C=NC=N3

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)NC(=O)C2=C(N=NS2)CN3C=NC=N3

InChI

InChI=1S/C16H18N6OS/c1-3-11(2)12-4-6-13(7-5-12)19-16(23)15-14(20-21-24-15)8-22-10-17-9-18-22/h4-7,9-11H,3,8H2,1-2H3,(H,19,23)