N-[4-oxidanylidene-4-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methylamino]butyl]thiophene-3-carboxamide

Systemtic Name: N-[4-oxidanylidene-4-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methylamino]butyl]thiophene-3-carboxamide Openeye Name: N-[4-oxo-4-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methylamino]butyl]thiophene-3-carboxamide CAS Name: N-[4-oxo-4-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methylamino]butyl]-3-thiophenecarboxamide IUPAC Name: N-[4-oxo-4-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methylamino]butyl]thiophene-3-carboxamide Traditional Name: N-[4-keto-4-[[4-(1,2,4-triazol-1-ylmethyl)benzyl]amino]butyl]thiophene-3-carboxamide Formula: C19H21N5O2S MolecularWeight: 383.46734

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=O)CCCNC(=O)C2=CSC=C2)CN3C=NC=N3

Isomeric SMILES

C1=CC(=CC=C1CNC(=O)CCCNC(=O)C2=CSC=C2)CN3C=NC=N3

InChI

InChI=1S/C19H21N5O2S/c25-18(2-1-8-21-19(26)17-7-9-27-12-17)22-10-15-3-5-16(6-4-15)11-24-14-20-13-23-24/h3-7,9,12-14H,1-2,8,10-11H2,(H,21,26)(H,22,25)