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

Systemtic Name: N-[3-[(4-propan-2-ylphenoxy)methyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-2H-benzotriazole-5-carboximidate Openeye Name: N-[3-[(4-isopropylphenoxy)methyl]-5-thioxo-1H-1,2,4-triazol-4-yl]-2H-benzotriazole-5-carboximidate CAS Name: N-[3-[(4-propan-2-ylphenoxy)methyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-2H-benzotriazole-5-carboximidate IUPAC Name: N-[3-[(4-propan-2-ylphenoxy)methyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-2H-benzotriazole-5-carboximidate Traditional Name: N-[3-[(4-isopropylphenoxy)methyl]-5-thioxo-1H-1,2,4-triazol-4-yl]-2H-benzotriazole-5-carboximidate Formula: C19H18N7O2S- MolecularWeight: 408.45692

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)OCC2=NNC(=S)N2N=C(C3=CC4=NNN=C4C=C3)[O-]

Isomeric SMILES

CC(C)C1=CC=C(C=C1)OCC2=NNC(=S)N2N=C(C3=CC4=NNN=C4C=C3)[O-]

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)/p-1