2-[[4-azanyl-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-butanamide

Systemtic Name: 2-[[4-azanyl-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-butanamide Openeye Name: 2-[[4-amino-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-butanamide CAS Name: 2-[[4-amino-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-phenylbutanamide IUPAC Name: 2-[[4-amino-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylbutanamide Traditional Name: 2-[[4-amino-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-phenyl-butyramide Formula: C20H23N5O3S MolecularWeight: 413.49332

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=C1)SC2=NN=C(N2N)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCC(C(=O)NC1=CC=CC=C1)SC2=NN=C(N2N)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C20H23N5O3S/c1-4-17(19(26)22-14-8-6-5-7-9-14)29-20-24-23-18(25(20)21)13-10-11-15(27-2)16(12-13)28-3/h5-12,17H,4,21H2,1-3H3,(H,22,26)