N-butyl-5-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-3-methyl-6H-1,3,4-thiadiazin-2-imine

Systemtic Name: N-butyl-5-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-3-methyl-6H-1,3,4-thiadiazin-2-imine Openeye Name: N-butyl-5-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-3-methyl-6H-1,3,4-thiadiazin-2-imine CAS Name: N-butyl-5-(2,5-dimethyl-1-phenethyl-3-pyrrolyl)-3-methyl-6H-1,3,4-thiadiazin-2-imine IUPAC Name: N-butyl-5-(2,5-dimethyl-1-phenethylpyrrol-3-yl)-3-methyl-6H-1,3,4-thiadiazin-2-imine Traditional Name: butyl-[5-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-3-methyl-6H-1,3,4-thiadiazin-2-ylidene]amine Formula: C22H30N4S MolecularWeight: 382.5654

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN=C1N(N=C(CS1)C2=C(N(C(=C2)C)CCC3=CC=CC=C3)C)C

Isomeric SMILES

CCCCN=C1N(N=C(CS1)C2=C(N(C(=C2)C)CCC3=CC=CC=C3)C)C

InChI

InChI=1S/C22H30N4S/c1-5-6-13-23-22-25(4)24-21(16-27-22)20-15-17(2)26(18(20)3)14-12-19-10-8-7-9-11-19/h7-11,15H,5-6,12-14,16H2,1-4H3