5-[5-(3-azanyl-4-chloranyl-phenyl)-4-hexadecyl-1,2,4-triazol-3-yl]-2-chloranyl-aniline

Systemtic Name: 5-[5-(3-azanyl-4-chloranyl-phenyl)-4-hexadecyl-1,2,4-triazol-3-yl]-2-chloranyl-aniline Openeye Name: 5-[5-(3-amino-4-chloro-phenyl)-4-hexadecyl-1,2,4-triazol-3-yl]-2-chloro-aniline CAS Name: 5-[5-(3-amino-4-chlorophenyl)-4-hexadecyl-1,2,4-triazol-3-yl]-2-chloroaniline IUPAC Name: 5-[5-(3-amino-4-chlorophenyl)-4-hexadecyl-1,2,4-triazol-3-yl]-2-chloroaniline Traditional Name: [5-[5-(3-amino-4-chloro-phenyl)-4-cetyl-1,2,4-triazol-3-yl]-2-chloro-phenyl]amine Formula: C30H43Cl2N5 MolecularWeight: 544.60192

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN1C(=NN=C1C2=CC(=C(C=C2)Cl)N)C3=CC(=C(C=C3)Cl)N

Isomeric SMILES

CCCCCCCCCCCCCCCCN1C(=NN=C1C2=CC(=C(C=C2)Cl)N)C3=CC(=C(C=C3)Cl)N

InChI

InChI=1S/C30H43Cl2N5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-37-29(23-16-18-25(31)27(33)21-23)35-36-30(37)24-17-19-26(32)28(34)22-24/h16-19,21-22H,2-15,20,33-34H2,1H3