2-[4-(5-phenyl-1,2,4-triazin-3-yl)-1,4-diazepan-1-yl]-1,3-benzothiazole

Systemtic Name: 2-[4-(5-phenyl-1,2,4-triazin-3-yl)-1,4-diazepan-1-yl]-1,3-benzothiazole Openeye Name: 2-[4-(5-phenyl-1,2,4-triazin-3-yl)-1,4-diazepan-1-yl]-1,3-benzothiazole CAS Name: 2-[4-(5-phenyl-1,2,4-triazin-3-yl)-1,4-diazepan-1-yl]-1,3-benzothiazole IUPAC Name: 2-[4-(5-phenyl-1,2,4-triazin-3-yl)-1,4-diazepan-1-yl]-1,3-benzothiazole Traditional Name: 2-[4-(5-phenyl-1,2,4-triazin-3-yl)-1,4-diazepan-1-yl]-1,3-benzothiazole Formula: C21H20N6S MolecularWeight: 388.4887

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C2=NC3=CC=CC=C3S2)C4=NC(=CN=N4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN(C1)C2=NC3=CC=CC=C3S2)C4=NC(=CN=N4)C5=CC=CC=C5

InChI

InChI=1S/C21H20N6S/c1-2-7-16(8-3-1)18-15-22-25-20(23-18)26-11-6-12-27(14-13-26)21-24-17-9-4-5-10-19(17)28-21/h1-5,7-10,15H,6,11-14H2