5-(5-methylfuran-2-yl)-7-propan-2-yl-2-thiophen-2-yl-4H-1,3,4-benzotriazepine

Systemtic Name: 5-(5-methylfuran-2-yl)-7-propan-2-yl-2-thiophen-2-yl-4H-1,3,4-benzotriazepine Openeye Name: 7-isopropyl-5-(5-methyl-2-furyl)-2-(2-thienyl)-4H-1,3,4-benzotriazepine CAS Name: 5-(5-methyl-2-furanyl)-7-propan-2-yl-2-thiophen-2-yl-4H-1,3,4-benzotriazepine IUPAC Name: 5-(5-methylfuran-2-yl)-7-propan-2-yl-2-thiophen-2-yl-4H-1,3,4-benzotriazepine Traditional Name: 7-isopropyl-5-(5-methyl-2-furyl)-2-(2-thienyl)-4H-1,3,4-benzotriazepine Formula: C20H19N3OS MolecularWeight: 349.44936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C2=C3C=C(C=CC3=NC(=NN2)C4=CC=CS4)C(C)C

Isomeric SMILES

CC1=CC=C(O1)C2=C3C=C(C=CC3=NC(=NN2)C4=CC=CS4)C(C)C

InChI

InChI=1S/C20H19N3OS/c1-12(2)14-7-8-16-15(11-14)19(17-9-6-13(3)24-17)22-23-20(21-16)18-5-4-10-25-18/h4-12,22H,1-3H3