6-[4-chloranyl-2-(1,2,4-triazol-1-ylmethyl)phenyl]sulfanyl-1-methyl-benzotriazole

Systemtic Name: 6-[4-chloranyl-2-(1,2,4-triazol-1-ylmethyl)phenyl]sulfanyl-1-methyl-benzotriazole Openeye Name: 6-[4-chloro-2-(1,2,4-triazol-1-ylmethyl)phenyl]sulfanyl-1-methyl-benzotriazole CAS Name: 6-[[4-chloro-2-(1,2,4-triazol-1-ylmethyl)phenyl]thio]-1-methylbenzotriazole IUPAC Name: 6-[4-chloro-2-(1,2,4-triazol-1-ylmethyl)phenyl]sulfanyl-1-methylbenzotriazole Traditional Name: 6-[[4-chloro-2-(1,2,4-triazol-1-ylmethyl)phenyl]thio]-1-methyl-benzotriazole Formula: C16H13ClN6S MolecularWeight: 356.83262

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=CC(=C2)SC3=C(C=C(C=C3)Cl)CN4C=NC=N4)N=N1

Isomeric SMILES

CN1C2=C(C=CC(=C2)SC3=C(C=C(C=C3)Cl)CN4C=NC=N4)N=N1

InChI

InChI=1S/C16H13ClN6S/c1-22-15-7-13(3-4-14(15)20-21-22)24-16-5-2-12(17)6-11(16)8-23-10-18-9-19-23/h2-7,9-10H,8H2,1H3