N-[2-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide

Systemtic Name: N-[2-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide Openeye Name: N-[2-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide CAS Name: N-[2-[oxo-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methylamino]methyl]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[2-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide Traditional Name: N-[2-[[4-(1,2,4-triazol-1-ylmethyl)benzyl]carbamoyl]phenyl]thiophene-2-carboxamide Formula: C22H19N5O2S MolecularWeight: 417.48356

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NCC2=CC=C(C=C2)CN3C=NC=N3)NC(=O)C4=CC=CS4

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NCC2=CC=C(C=C2)CN3C=NC=N3)NC(=O)C4=CC=CS4

InChI

InChI=1S/C22H19N5O2S/c28-21(18-4-1-2-5-19(18)26-22(29)20-6-3-11-30-20)24-12-16-7-9-17(10-8-16)13-27-15-23-14-25-27/h1-11,14-15H,12-13H2,(H,24,28)(H,26,29)