1-[[1-(benzotriazol-1-ylmethyl)-5,6-dihydro-4H-pyrimidin-2-yl]sulfanylmethyl]benzotriazole

Systemtic Name: 1-[[1-(benzotriazol-1-ylmethyl)-5,6-dihydro-4H-pyrimidin-2-yl]sulfanylmethyl]benzotriazole Openeye Name: 1-[[1-(benzotriazol-1-ylmethyl)-5,6-dihydro-4H-pyrimidin-2-yl]sulfanylmethyl]benzotriazole CAS Name: 1-[[[1-(1-benzotriazolylmethyl)-5,6-dihydro-4H-pyrimidin-2-yl]thio]methyl]benzotriazole IUPAC Name: 1-[[1-(benzotriazol-1-ylmethyl)-5,6-dihydro-4H-pyrimidin-2-yl]sulfanylmethyl]benzotriazole Traditional Name: 1-[[[1-(benzotriazol-1-ylmethyl)-5,6-dihydro-4H-pyrimidin-2-yl]thio]methyl]benzotriazole Formula: C18H18N8S MolecularWeight: 378.45412

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Descriptors Computed from Structure

Canonical SMILES:

C1CN=C(N(C1)CN2C3=CC=CC=C3N=N2)SCN4C5=CC=CC=C5N=N4

Isomeric SMILES

C1CN=C(N(C1)CN2C3=CC=CC=C3N=N2)SCN4C5=CC=CC=C5N=N4

InChI

InChI=1S/C18H18N8S/c1-3-8-16-14(6-1)20-22-25(16)12-24-11-5-10-19-18(24)27-13-26-17-9-4-2-7-15(17)21-23-26/h1-4,6-9H,5,10-13H2