N-ethyl-5-phenyl-3-thiophen-2-yl-3H-1,4-benzodiazepin-2-amine

Systemtic Name: N-ethyl-5-phenyl-3-thiophen-2-yl-3H-1,4-benzodiazepin-2-amine Openeye Name: N-ethyl-5-phenyl-3-(2-thienyl)-3H-1,4-benzodiazepin-2-amine CAS Name: N-ethyl-5-phenyl-3-thiophen-2-yl-3H-1,4-benzodiazepin-2-amine IUPAC Name: N-ethyl-5-phenyl-3-thiophen-2-yl-3H-1,4-benzodiazepin-2-amine Traditional Name: ethyl-[5-phenyl-3-(2-thienyl)-3H-1,4-benzodiazepin-2-yl]amine Formula: C21H19N3S MolecularWeight: 345.46066

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC2=CC=CC=C2C(=NC1C3=CC=CS3)C4=CC=CC=C4

Isomeric SMILES

CCNC1=NC2=CC=CC=C2C(=NC1C3=CC=CS3)C4=CC=CC=C4

InChI

InChI=1S/C21H19N3S/c1-2-22-21-20(18-13-8-14-25-18)24-19(15-9-4-3-5-10-15)16-11-6-7-12-17(16)23-21/h3-14,20H,2H2,1H3,(H,22,23)