4-(1,3-benzothiazol-6-ylsulfanyl)-6-butoxy-N-(5-cyclopropyl-1H-pyrazol-3-yl)-1,3,5-triazin-2-amine

Systemtic Name: 4-(1,3-benzothiazol-6-ylsulfanyl)-6-butoxy-N-(5-cyclopropyl-1H-pyrazol-3-yl)-1,3,5-triazin-2-amine Openeye Name: 4-(1,3-benzothiazol-6-ylsulfanyl)-6-butoxy-N-(5-cyclopropyl-1H-pyrazol-3-yl)-1,3,5-triazin-2-amine CAS Name: 4-(1,3-benzothiazol-6-ylthio)-6-butoxy-N-(5-cyclopropyl-1H-pyrazol-3-yl)-1,3,5-triazin-2-amine IUPAC Name: 4-(1,3-benzothiazol-6-ylsulfanyl)-6-butoxy-N-(5-cyclopropyl-1H-pyrazol-3-yl)-1,3,5-triazin-2-amine Traditional Name: [4-(1,3-benzothiazol-6-ylthio)-6-butoxy-s-triazin-2-yl]-(5-cyclopropyl-1H-pyrazol-3-yl)amine Formula: C20H21N7OS2 MolecularWeight: 439.55704

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC(=NC(=N1)NC2=NNC(=C2)C3CC3)SC4=CC5=C(C=C4)N=CS5

Isomeric SMILES

CCCCOC1=NC(=NC(=N1)NC2=NNC(=C2)C3CC3)SC4=CC5=C(C=C4)N=CS5

InChI

InChI=1S/C20H21N7OS2/c1-2-3-8-28-19-23-18(22-17-10-15(26-27-17)12-4-5-12)24-20(25-19)30-13-6-7-14-16(9-13)29-11-21-14/h6-7,9-12H,2-5,8H2,1H3,(H2,22,23,24,25,26,27)