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

Systemtic Name: N-[4-[2-ethyl-1-(1,2,4-triazol-1-yl)butyl]phenyl]-N-methyl-1,3-benzothiazol-2-amine Openeye Name: N-[4-[2-ethyl-1-(1,2,4-triazol-1-yl)butyl]phenyl]-N-methyl-1,3-benzothiazol-2-amine CAS Name: N-[4-[2-ethyl-1-(1,2,4-triazol-1-yl)butyl]phenyl]-N-methyl-1,3-benzothiazol-2-amine IUPAC Name: N-[4-[2-ethyl-1-(1,2,4-triazol-1-yl)butyl]phenyl]-N-methyl-1,3-benzothiazol-2-amine Traditional Name: 1,3-benzothiazol-2-yl-[4-[2-ethyl-1-(1,2,4-triazol-1-yl)butyl]phenyl]-methyl-amine Formula: C22H25N5S MolecularWeight: 391.5324

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(C1=CC=C(C=C1)N(C)C2=NC3=CC=CC=C3S2)N4C=NC=N4

Isomeric SMILES

CCC(CC)C(C1=CC=C(C=C1)N(C)C2=NC3=CC=CC=C3S2)N4C=NC=N4

InChI

InChI=1S/C22H25N5S/c1-4-16(5-2)21(27-15-23-14-24-27)17-10-12-18(13-11-17)26(3)22-25-19-8-6-7-9-20(19)28-22/h6-16,21H,4-5H2,1-3H3