4-chloranyl-1-methyl-5-[2-(1,2,4-triazol-1-ylmethyl)phenyl]sulfanyl-benzotriazole

Systemtic Name: 4-chloranyl-1-methyl-5-[2-(1,2,4-triazol-1-ylmethyl)phenyl]sulfanyl-benzotriazole Openeye Name: 4-chloro-1-methyl-5-[2-(1,2,4-triazol-1-ylmethyl)phenyl]sulfanyl-benzotriazole CAS Name: 4-chloro-1-methyl-5-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]thio]benzotriazole IUPAC Name: 4-chloro-1-methyl-5-[2-(1,2,4-triazol-1-ylmethyl)phenyl]sulfanylbenzotriazole Traditional Name: 4-chloro-1-methyl-5-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]thio]benzotriazole Formula: C16H13ClN6S MolecularWeight: 356.83262

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=C(C=C2)SC3=CC=CC=C3CN4C=NC=N4)Cl)N=N1

Isomeric SMILES

CN1C2=C(C(=C(C=C2)SC3=CC=CC=C3CN4C=NC=N4)Cl)N=N1

InChI

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