2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-benzothiazole

Systemtic Name: 2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-benzothiazole Openeye Name: 2-[[4-propyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-benzothiazole CAS Name: 2-[[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]methyl]-1,3-benzothiazole IUPAC Name: 2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-benzothiazole Traditional Name: 2-[[[4-propyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]-1,3-benzothiazole Formula: C18H17N5S2 MolecularWeight: 367.49108

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SCC2=NC3=CC=CC=C3S2)C4=CC=NC=C4

Isomeric SMILES

CCCN1C(=NN=C1SCC2=NC3=CC=CC=C3S2)C4=CC=NC=C4

InChI

InChI=1S/C18H17N5S2/c1-2-11-23-17(13-7-9-19-10-8-13)21-22-18(23)24-12-16-20-14-5-3-4-6-15(14)25-16/h3-10H,2,11-12H2,1H3