N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[(6-phenyl-1,2,4-triazin-3-yl)sulfanyl]butanamide

Systemtic Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[(6-phenyl-1,2,4-triazin-3-yl)sulfanyl]butanamide Openeye Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[(6-phenyl-1,2,4-triazin-3-yl)sulfanyl]butanamide CAS Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[(6-phenyl-1,2,4-triazin-3-yl)thio]butanamide IUPAC Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[(6-phenyl-1,2,4-triazin-3-yl)sulfanyl]butanamide Traditional Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[(6-phenyl-1,2,4-triazin-3-yl)thio]butyramide Formula: C21H19N5O2S2 MolecularWeight: 437.53786

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NC2=C(S1)C=C(C=C2)OC)SC3=NC=C(N=N3)C4=CC=CC=C4

Isomeric SMILES

CCC(C(=O)NC1=NC2=C(S1)C=C(C=C2)OC)SC3=NC=C(N=N3)C4=CC=CC=C4

InChI

InChI=1S/C21H19N5O2S2/c1-3-17(29-20-22-12-16(25-26-20)13-7-5-4-6-8-13)19(27)24-21-23-15-10-9-14(28-2)11-18(15)30-21/h4-12,17H,3H2,1-2H3,(H,23,24,27)