4-chloranyl-N2-methyl-3-[2-(1,2,4-triazol-1-ylmethyl)phenyl]sulfanyl-benzene-1,2-diamine

Systemtic Name: 4-chloranyl-N2-methyl-3-[2-(1,2,4-triazol-1-ylmethyl)phenyl]sulfanyl-benzene-1,2-diamine Openeye Name: 4-chloro-N2-methyl-3-[2-(1,2,4-triazol-1-ylmethyl)phenyl]sulfanyl-benzene-1,2-diamine CAS Name: 4-chloro-N2-methyl-3-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]thio]benzene-1,2-diamine IUPAC Name: 4-chloro-2-N-methyl-3-[2-(1,2,4-triazol-1-ylmethyl)phenyl]sulfanylbenzene-1,2-diamine Traditional Name: [6-amino-3-chloro-2-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]thio]phenyl]-methyl-amine Formula: C16H16ClN5S MolecularWeight: 345.84974

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=CC(=C1SC2=CC=CC=C2CN3C=NC=N3)Cl)N

Isomeric SMILES

CNC1=C(C=CC(=C1SC2=CC=CC=C2CN3C=NC=N3)Cl)N

InChI

InChI=1S/C16H16ClN5S/c1-19-15-13(18)7-6-12(17)16(15)23-14-5-3-2-4-11(14)8-22-10-20-9-21-22/h2-7,9-10,19H,8,18H2,1H3