N-butyl-N-methyl-butan-1-amine; 4-chloranyl-5-methanoyl-2-phenyldiazenyl-thiophene-3-carbonitrile

Systemtic Name: N-butyl-N-methyl-butan-1-amine; 4-chloranyl-5-methanoyl-2-phenyldiazenyl-thiophene-3-carbonitrile Openeye Name: N-butyl-N-methyl-butan-1-amine; 4-chloro-5-formyl-2-phenylazo-thiophene-3-carbonitrile CAS Name: N-butyl-N-methyl-1-butanamine; 4-chloro-5-formyl-2-phenyldiazenyl-3-thiophenecarbonitrile IUPAC Name: N-butyl-N-methylbutan-1-amine; 4-chloro-5-formyl-2-phenyldiazenylthiophene-3-carbonitrile Traditional Name: 4-chloro-5-formyl-2-phenylazo-thiophene-3-carbonitrile; dibutyl(methyl)amine Formula: C21H27ClN4OS MolecularWeight: 418.98328

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)CCCC.C1=CC=C(C=C1)N=NC2=C(C(=C(S2)C=O)Cl)C#N

Isomeric SMILES

CCCCN(C)CCCC.C1=CC=C(C=C1)N=NC2=C(C(=C(S2)C=O)Cl)C#N

InChI

InChI=1S/C12H6ClN3OS.C9H21N/c13-11-9(6-14)12(18-10(11)7-17)16-15-8-4-2-1-3-5-8;1-4-6-8-10(3)9-7-5-2/h1-5,7H;4-9H2,1-3H3