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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=C2SC3=NC4=CC=CC=C4S3)CC5=CC=CS5

Isomeric SMILES

C1CC1N2C(=NN=C2SC3=NC4=CC=CC=C4S3)CC5=CC=CS5

InChI

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