4-(3-oxidanylidene-1,2-benzothiazol-2-yl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]butanamide

Systemtic Name: 4-(3-oxidanylidene-1,2-benzothiazol-2-yl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]butanamide Openeye Name: 4-(3-oxo-1,2-benzothiazol-2-yl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]butanamide CAS Name: 4-(3-oxo-1,2-benzothiazol-2-yl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]butanamide IUPAC Name: 4-(3-oxo-1,2-benzothiazol-2-yl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]butanamide Traditional Name: 4-(3-keto-1,2-benzothiazol-2-yl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]butyramide Formula: C20H19N5O2S MolecularWeight: 393.46216

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(S2)CCCC(=O)NC3=CC=C(C=C3)CN4C=NC=N4

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(S2)CCCC(=O)NC3=CC=C(C=C3)CN4C=NC=N4

InChI

InChI=1S/C20H19N5O2S/c26-19(6-3-11-25-20(27)17-4-1-2-5-18(17)28-25)23-16-9-7-15(8-10-16)12-24-14-21-13-22-24/h1-2,4-5,7-10,13-14H,3,6,11-12H2,(H,23,26)