6-ethyl-4-phenyl-5-[1-(1,2,4-triazol-1-yl)butyl]-1,3-benzothiazol-2-amine

Systemtic Name: 6-ethyl-4-phenyl-5-[1-(1,2,4-triazol-1-yl)butyl]-1,3-benzothiazol-2-amine Openeye Name: 6-ethyl-4-phenyl-5-[1-(1,2,4-triazol-1-yl)butyl]-1,3-benzothiazol-2-amine CAS Name: 6-ethyl-4-phenyl-5-[1-(1,2,4-triazol-1-yl)butyl]-1,3-benzothiazol-2-amine IUPAC Name: 6-ethyl-4-phenyl-5-[1-(1,2,4-triazol-1-yl)butyl]-1,3-benzothiazol-2-amine Traditional Name: [6-ethyl-4-phenyl-5-[1-(1,2,4-triazol-1-yl)butyl]-1,3-benzothiazol-2-yl]amine Formula: C21H23N5S MolecularWeight: 377.50582

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=C(C2=C(C=C1CC)SC(=N2)N)C3=CC=CC=C3)N4C=NC=N4

Isomeric SMILES

CCCC(C1=C(C2=C(C=C1CC)SC(=N2)N)C3=CC=CC=C3)N4C=NC=N4

InChI

InChI=1S/C21H23N5S/c1-3-8-16(26-13-23-12-24-26)18-14(4-2)11-17-20(25-21(22)27-17)19(18)15-9-6-5-7-10-15/h5-7,9-13,16H,3-4,8H2,1-2H3,(H2,22,25)