N-[3-[(4-propan-2-ylphenoxy)methyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-2H-benzotriazole-5-carboxamide

Systemtic Name: N-[3-[(4-propan-2-ylphenoxy)methyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-2H-benzotriazole-5-carboxamide Openeye Name: N-[3-[(4-isopropylphenoxy)methyl]-5-thioxo-1H-1,2,4-triazol-4-yl]-2H-benzotriazole-5-carboxamide CAS Name: N-[3-[(4-propan-2-ylphenoxy)methyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-2H-benzotriazole-5-carboxamide IUPAC Name: N-[3-[(4-propan-2-ylphenoxy)methyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-2H-benzotriazole-5-carboxamide Traditional Name: N-[3-[(4-isopropylphenoxy)methyl]-5-thioxo-1H-1,2,4-triazol-4-yl]-2H-benzotriazole-5-carboxamide Formula: C19H19N7O2S MolecularWeight: 409.46486

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)OCC2=NNC(=S)N2NC(=O)C3=CC4=NNN=C4C=C3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)OCC2=NNC(=S)N2NC(=O)C3=CC4=NNN=C4C=C3

InChI

InChI=1S/C19H19N7O2S/c1-11(2)12-3-6-14(7-4-12)28-10-17-22-23-19(29)26(17)24-18(27)13-5-8-15-16(9-13)21-25-20-15/h3-9,11H,10H2,1-2H3,(H,23,29)(H,24,27)(H,20,21,25)