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

Systemtic Name: 4-[4-chloranyl-2-(1,2,4-triazol-1-ylmethyl)phenyl]sulfanyl-N2-methyl-benzene-1,2-diamine Openeye Name: 4-[4-chloro-2-(1,2,4-triazol-1-ylmethyl)phenyl]sulfanyl-N2-methyl-benzene-1,2-diamine CAS Name: 4-[[4-chloro-2-(1,2,4-triazol-1-ylmethyl)phenyl]thio]-N2-methylbenzene-1,2-diamine IUPAC Name: 4-[4-chloro-2-(1,2,4-triazol-1-ylmethyl)phenyl]sulfanyl-2-N-methylbenzene-1,2-diamine Traditional Name: [2-amino-5-[[4-chloro-2-(1,2,4-triazol-1-ylmethyl)phenyl]thio]phenyl]-methyl-amine Formula: C16H16ClN5S MolecularWeight: 345.84974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=CC(=C1)SC2=C(C=C(C=C2)Cl)CN3C=NC=N3)N

Isomeric SMILES

CNC1=C(C=CC(=C1)SC2=C(C=C(C=C2)Cl)CN3C=NC=N3)N

InChI

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