N6,N6-dimethyl-4-phenyl-5-[1-(1,2,4-triazol-1-yl)propyl]-1,3-benzothiazole-2,6-diamine

Systemtic Name: N6,N6-dimethyl-4-phenyl-5-[1-(1,2,4-triazol-1-yl)propyl]-1,3-benzothiazole-2,6-diamine Openeye Name: N6,N6-dimethyl-4-phenyl-5-[1-(1,2,4-triazol-1-yl)propyl]-1,3-benzothiazole-2,6-diamine CAS Name: N6,N6-dimethyl-4-phenyl-5-[1-(1,2,4-triazol-1-yl)propyl]-1,3-benzothiazole-2,6-diamine IUPAC Name: 6-N,6-N-dimethyl-4-phenyl-5-[1-(1,2,4-triazol-1-yl)propyl]-1,3-benzothiazole-2,6-diamine Traditional Name: [2-amino-4-phenyl-5-[1-(1,2,4-triazol-1-yl)propyl]-1,3-benzothiazol-6-yl]-dimethyl-amine Formula: C20H22N6S MolecularWeight: 378.49388

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=C(C2=C(C=C1N(C)C)SC(=N2)N)C3=CC=CC=C3)N4C=NC=N4

Isomeric SMILES

CCC(C1=C(C2=C(C=C1N(C)C)SC(=N2)N)C3=CC=CC=C3)N4C=NC=N4

InChI

InChI=1S/C20H22N6S/c1-4-14(26-12-22-11-23-26)18-15(25(2)3)10-16-19(24-20(21)27-16)17(18)13-8-6-5-7-9-13/h5-12,14H,4H2,1-3H3,(H2,21,24)