5-[1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-N-(phenylmethyl)-6H-1,3,4-thiadiazin-2-amine

Systemtic Name: 5-[1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-N-(phenylmethyl)-6H-1,3,4-thiadiazin-2-amine Openeye Name: N-benzyl-5-[1-(2-furylmethyl)-2,5-dimethyl-pyrrol-3-yl]-6H-1,3,4-thiadiazin-2-amine CAS Name: 5-[1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolyl]-N-(phenylmethyl)-6H-1,3,4-thiadiazin-2-amine IUPAC Name: N-benzyl-5-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-6H-1,3,4-thiadiazin-2-amine Traditional Name: benzyl-[5-[1-(2-furfuryl)-2,5-dimethyl-pyrrol-3-yl]-6H-1,3,4-thiadiazin-2-yl]amine Formula: C21H22N4OS MolecularWeight: 378.49058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CO2)C)C3=NN=C(SC3)NCC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CO2)C)C3=NN=C(SC3)NCC4=CC=CC=C4

InChI

InChI=1S/C21H22N4OS/c1-15-11-19(16(2)25(15)13-18-9-6-10-26-18)20-14-27-21(24-23-20)22-12-17-7-4-3-5-8-17/h3-11H,12-14H2,1-2H3,(H,22,24)