2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-benzothiazole

Systemtic Name: 2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-benzothiazole Openeye Name: 2-[[4-cyclopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-benzothiazole CAS Name: 2-[[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]methyl]-1,3-benzothiazole IUPAC Name: 2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-benzothiazole Traditional Name: 2-[[[4-cyclopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]methyl]-1,3-benzothiazole Formula: C17H14N4S3 MolecularWeight: 370.51486

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=C2SCC3=NC4=CC=CC=C4S3)C5=CC=CS5

Isomeric SMILES

C1CC1N2C(=NN=C2SCC3=NC4=CC=CC=C4S3)C5=CC=CS5

InChI

InChI=1S/C17H14N4S3/c1-2-5-13-12(4-1)18-15(24-13)10-23-17-20-19-16(14-6-3-9-22-14)21(17)11-7-8-11/h1-6,9,11H,7-8,10H2