3-[(3-chloranyl-1-benzothiophen-2-yl)methylsulfanyl]-5-propan-2-yl-1H-1,2,4-triazole

Systemtic Name: 3-[(3-chloranyl-1-benzothiophen-2-yl)methylsulfanyl]-5-propan-2-yl-1H-1,2,4-triazole Openeye Name: 3-[(3-chlorobenzothiophen-2-yl)methylsulfanyl]-5-isopropyl-1H-1,2,4-triazole CAS Name: 3-[(3-chloro-1-benzothiophen-2-yl)methylthio]-5-propan-2-yl-1H-1,2,4-triazole IUPAC Name: 3-[(3-chloro-1-benzothiophen-2-yl)methylsulfanyl]-5-propan-2-yl-1H-1,2,4-triazole Traditional Name: 3-[(3-chlorobenzothiophen-2-yl)methylthio]-5-isopropyl-1H-1,2,4-triazole Formula: C14H14ClN3S2 MolecularWeight: 323.86406

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=NN1)SCC2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

CC(C)C1=NC(=NN1)SCC2=C(C3=CC=CC=C3S2)Cl

InChI

InChI=1S/C14H14ClN3S2/c1-8(2)13-16-14(18-17-13)19-7-11-12(15)9-5-3-4-6-10(9)20-11/h3-6,8H,7H2,1-2H3,(H,16,17,18)