[3,5-bis[(phenylmethyl)amino]-1,2,4-triazol-1-yl]-thiophen-2-yl-methanone

Systemtic Name: [3,5-bis[(phenylmethyl)amino]-1,2,4-triazol-1-yl]-thiophen-2-yl-methanone Openeye Name: [3,5-bis(benzylamino)-1,2,4-triazol-1-yl]-(2-thienyl)methanone CAS Name: [3,5-bis[(phenylmethyl)amino]-1,2,4-triazol-1-yl]-thiophen-2-ylmethanone IUPAC Name: [3,5-bis(benzylamino)-1,2,4-triazol-1-yl]-thiophen-2-ylmethanone Traditional Name: [3,5-bis(benzylamino)-1,2,4-triazol-1-yl]-(2-thienyl)methanone Formula: C21H19N5OS MolecularWeight: 389.47346

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=NN(C(=N2)NCC3=CC=CC=C3)C(=O)C4=CC=CS4

Isomeric SMILES

C1=CC=C(C=C1)CNC2=NN(C(=N2)NCC3=CC=CC=C3)C(=O)C4=CC=CS4

InChI

InChI=1S/C21H19N5OS/c27-19(18-12-7-13-28-18)26-21(23-15-17-10-5-2-6-11-17)24-20(25-26)22-14-16-8-3-1-4-9-16/h1-13H,14-15H2,(H2,22,23,24,25)